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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2,4-dichlorophenyl)methyl]isonipecotic acid Formula: C28H29Cl2NO4 MolecularWeight: 514.44016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29Cl2NO4/c1-2-34-26-16-21(8-11-25(26)35-18-19-6-4-3-5-7-19)27(23-10-9-22(29)17-24(23)30)31-14-12-20(13-15-31)28(32)33/h3-11,16-17,20,27H,2,12-15,18H2,1H3,(H,32,33)