1-[(4-nitrophenyl)methyl]-4-phenethyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-phenethyl-piperidine-4-carboxylic acid Openeye Name: 1-[(4-nitrophenyl)methyl]-4-phenethyl-piperidine-4-carboxylic acid CAS Name: 1-[(4-nitrophenyl)methyl]-4-phenethyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-phenethylpiperidine-4-carboxylic acid Traditional Name: 1-(4-nitrobenzyl)-4-phenethyl-isonipecotic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CCC2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(CCC2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O4/c24-20(25)21(11-10-17-4-2-1-3-5-17)12-14-22(15-13-21)16-18-6-8-19(9-7-18)23(26)27/h1-9H,10-16H2,(H,24,25)