CHEBI:123318 - 6-[oxo-[2-[oxo-[4-(4-propan-2-ylphenyl)-1-piperazinyl]methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid

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ChEBI Name 6-[oxo-[2-[oxo-[4-(4-propan-2-ylphenyl)-1-piperazinyl]methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid ChEBI ID CHEBI:123318 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H33N3O4 Net Charge 0 Average Mass 475.580 Monoisotopic Mass 475.24711 InChI InChI=1S/C28H33N3O4/c1-19(2)20-11-13-21(14-12-20)30-15-17-31(18-16-30)27(33)24-9-5-6-10-25(24)29-26(32)22-7-3-4-8-23(22)28(34)35/h3-6,9-14,19,22-23H,7-8,15-18H2,1-2H3,(H,29,32)(H,34,35) InChIKey DWTOCLBWWMVAPJ-UHFFFAOYSA-N SMILES CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CC=CCC4C(=O)O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 6-[oxo-[2-[oxo-[4-(4-propan-2-ylphenyl)-1-piperazinyl]methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid (CHEBI:123318) is a amidobenzoic acid (CHEBI:48470) Manual Xref Database LSM-34761 LINCS View more database links