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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O)OC

InChI

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