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

Systemtic Name: 1-[(4-dimethylaminophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]isonipecotic acid Formula: C30H36N2O4 MolecularWeight: 488.61784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O4/c1-4-35-28-20-25(12-15-27(28)36-21-22-8-6-5-7-9-22)29(23-10-13-26(14-11-23)31(2)3)32-18-16-24(17-19-32)30(33)34/h5-15,20,24,29H,4,16-19,21H2,1-3H3,(H,33,34)