4-[1-azanyl-3-cyano-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-cyano-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-cyano-2-[2-(1-piperidyl)phenyl]ethyl]benzoic acid CAS Name: 4-[1-amino-3-cyano-1-oxo-3-[2-(1-piperidinyl)phenyl]propan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-cyano-1-oxo-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-cyano-2-(2-piperidinophenyl)ethyl]benzoic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2C(C#N)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2C(C#N)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C22H23N3O3/c23-14-18(17-6-2-3-7-19(17)25-12-4-1-5-13-25)20(21(24)26)15-8-10-16(11-9-15)22(27)28/h2-3,6-11,18,20H,1,4-5,12-13H2,(H2,24,26)(H,27,28)