1-[(3-methoxy-4-phenylmethoxy-phenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(m-tolyl)methyl]nipecotic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C28H31NO4/c1-20-8-6-11-22(16-20)27(29-15-7-12-24(18-29)28(30)31)23-13-14-25(26(17-23)32-2)33-19-21-9-4-3-5-10-21/h3-6,8-11,13-14,16-17,24,27H,7,12,15,18-19H2,1-2H3,(H,30,31)