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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]pipecolinic 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=C2)OC)OC)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

InChI

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