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

Systemtic Name: 4-[(4-methylphenyl)amino]-1-phenethyl-piperidine-4-carboxylic acid Openeye Name: 4-(4-methylanilino)-1-phenethyl-piperidine-4-carboxylic acid CAS Name: 4-(4-methylanilino)-1-phenethyl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-methylanilino)-1-phenethylpiperidine-4-carboxylic acid Traditional Name: 1-phenethyl-4-(p-toluidino)isonipecotic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2(CCN(CC2)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2(CCN(CC2)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H26N2O2/c1-17-7-9-19(10-8-17)22-21(20(24)25)12-15-23(16-13-21)14-11-18-5-3-2-4-6-18/h2-10,22H,11-16H2,1H3,(H,24,25)