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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]nipecotic acid Formula: C29H33NO6 MolecularWeight: 491.57542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O)OC

InChI

InChI=1S/C29H33NO6/c1-33-24-13-11-21(16-26(24)34-2)28(30-15-7-10-23(18-30)29(31)32)22-12-14-25(27(17-22)35-3)36-19-20-8-5-4-6-9-20/h4-6,8-9,11-14,16-17,23,28H,7,10,15,18-19H2,1-3H3,(H,31,32)