4-[1-azanyl-3-(5-cyano-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(5-cyano-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[5-cyano-2-(1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-3-[5-cyano-2-(1-piperidinyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(5-cyano-2-piperidin-1-ylphenyl)-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(5-cyano-2-piperidino-phenyl)propyl]benzoic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)C#N)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=C(C=CC(=C1)C#N)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C23H25N3O3/c1-15(21(22(25)27)17-6-8-18(9-7-17)23(28)29)19-13-16(14-24)5-10-20(19)26-11-3-2-4-12-26/h5-10,13,15,21H,2-4,11-12H2,1H3,(H2,25,27)(H,28,29)