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

Systemtic Name: 1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C27H29NO2 MolecularWeight: 399.52466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C27H29NO2/c1-2-20-10-12-23(13-11-20)26(28-18-6-9-25(19-28)27(29)30)24-16-14-22(15-17-24)21-7-4-3-5-8-21/h3-5,7-8,10-17,25-26H,2,6,9,18-19H2,1H3,(H,29,30)