1-(phenylmethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylic acid CAS Name: 4-[N-(1-oxopropyl)anilino]-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-(N-propionylanilino)isonipecotic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N2O3/c1-2-20(25)24(19-11-7-4-8-12-19)22(21(26)27)13-15-23(16-14-22)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3,(H,26,27)