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

Systemtic Name: 1-phenethyl-4-[phenyl(propanoyl)amino]piperidine-4-carboxylic acid Openeye Name: 1-phenethyl-4-(N-propanoylanilino)piperidine-4-carboxylic acid CAS Name: 4-[N-(1-oxopropyl)anilino]-1-phenethyl-4-piperidinecarboxylic acid IUPAC Name: 1-phenethyl-4-(N-propanoylanilino)piperidine-4-carboxylic acid Traditional Name: 1-phenethyl-4-(N-propionylanilino)isonipecotic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H28N2O3/c1-2-21(26)25(20-11-7-4-8-12-20)23(22(27)28)14-17-24(18-15-23)16-13-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3,(H,27,28)