1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-methoxyphenyl)methyl]isonipecotic acid Formula: C29H33NO5 MolecularWeight: 475.57602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO5/c1-3-34-27-19-24(11-14-26(27)35-20-21-7-5-4-6-8-21)28(22-9-12-25(33-2)13-10-22)30-17-15-23(16-18-30)29(31)32/h4-14,19,23,28H,3,15-18,20H2,1-2H3,(H,31,32)