3-methyl-1-phenethyl-4-[(2-propanoylphenyl)amino]piperidine-4-carboxylic acid

Systemtic Name: 3-methyl-1-phenethyl-4-[(2-propanoylphenyl)amino]piperidine-4-carboxylic acid Openeye Name: 3-methyl-1-phenethyl-4-(2-propanoylanilino)piperidine-4-carboxylic acid CAS Name: 3-methyl-4-[2-(1-oxopropyl)anilino]-1-phenethyl-4-piperidinecarboxylic acid IUPAC Name: 3-methyl-1-phenethyl-4-(2-propanoylanilino)piperidine-4-carboxylic acid Traditional Name: 3-methyl-1-phenethyl-4-(2-propionylanilino)isonipecotic acid Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1NC2(CCN(CC2C)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(=O)C1=CC=CC=C1NC2(CCN(CC2C)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H30N2O3/c1-3-22(27)20-11-7-8-12-21(20)25-24(23(28)29)14-16-26(17-18(24)2)15-13-19-9-5-4-6-10-19/h4-12,18,25H,3,13-17H2,1-2H3,(H,28,29)