1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2,5-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/c1-4-36-28-18-23(10-12-27(28)37-20-21-8-6-5-7-9-21)29(31-16-14-22(15-17-31)30(32)33)25-19-24(34-2)11-13-26(25)35-3/h5-13,18-19,22,29H,4,14-17,20H2,1-3H3,(H,32,33)