1-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C23H30N2O2/c1-4-17-7-9-18(10-8-17)22(19-11-13-21(14-12-19)24(2)3)25-15-5-6-20(16-25)23(26)27/h7-14,20,22H,4-6,15-16H2,1-3H3,(H,26,27)