1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]nipecotic acid Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC(C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC(C4)C(=O)O)C

InChI

InChI=1S/C27H29NO3/c1-19-14-20(2)16-23(15-19)26(28-13-7-9-22(18-28)27(29)30)21-8-6-12-25(17-21)31-24-10-4-3-5-11-24/h3-6,8,10-12,14-17,22,26H,7,9,13,18H2,1-2H3,(H,29,30)