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

Systemtic Name: 1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]isonipecotic 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)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

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