1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]isonipecotic acid Formula: C30H35NO6 MolecularWeight: 505.602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H35NO6/c1-4-36-27-19-23(13-14-25(27)37-20-21-9-6-5-7-10-21)28(31-17-15-22(16-18-31)30(32)33)24-11-8-12-26(34-2)29(24)35-3/h5-14,19,22,28H,4,15-18,20H2,1-3H3,(H,32,33)