1-[(2,6-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]nipecotic acid Formula: C30H35NO6 MolecularWeight: 505.602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(C=CC=C2OC)OC)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(C=CC=C2OC)OC)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

InChI

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