1-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]isonipecotic acid Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H30N2O2/c1-4-17-5-7-18(8-6-17)22(19-9-11-21(12-10-19)24(2)3)25-15-13-20(14-16-25)23(26)27/h5-12,20,22H,4,13-16H2,1-3H3,(H,26,27)