2-ethanoyl-2-phenylazanyl-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 2-ethanoyl-2-phenylazanyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 2-acetyl-2-anilino-1-benzyl-piperidine-4-carboxylic acid CAS Name: 2-acetyl-2-anilino-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 2-acetyl-2-anilino-1-benzylpiperidine-4-carboxylic acid Traditional Name: 2-acetyl-2-anilino-1-benzyl-isonipecotic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC(CCN1CC2=CC=CC=C2)C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1(CC(CCN1CC2=CC=CC=C2)C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-16(24)21(22-19-10-6-3-7-11-19)14-18(20(25)26)12-13-23(21)15-17-8-4-2-5-9-17/h2-11,18,22H,12-15H2,1H3,(H,25,26)