1-[(3-methoxyphenyl)-phenyl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-phenyl-methyl]nipecotic acid Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H23NO3/c1-24-18-11-5-9-16(13-18)19(15-7-3-2-4-8-15)21-12-6-10-17(14-21)20(22)23/h2-5,7-9,11,13,17,19H,6,10,12,14H2,1H3,(H,22,23)