1-[(4-ethoxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-phenylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]isonipecotic acid Formula: C28H31NO4 MolecularWeight: 445.55004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O)OC

InChI

InChI=1S/C28H31NO4/c1-3-33-25-14-13-24(19-26(25)32-2)27(29-17-15-23(16-18-29)28(30)31)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-14,19,23,27H,3,15-18H2,1-2H3,(H,30,31)