1-[(4-phenylphenyl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-phenylphenyl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-phenylphenyl)-(4-propan-2-ylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylphenyl)-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[p-cumenyl-(4-phenylphenyl)methyl]nipecotic acid Formula: C28H31NO2 MolecularWeight: 413.55124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO2/c1-20(2)21-10-14-24(15-11-21)27(29-18-6-9-26(19-29)28(30)31)25-16-12-23(13-17-25)22-7-4-3-5-8-22/h3-5,7-8,10-17,20,26-27H,6,9,18-19H2,1-2H3,(H,30,31)