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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCC(CC4)C(=O)O

InChI

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