1-[(3,4-diethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(3-methoxyphenyl)methyl]isonipecotic acid Formula: C24H31NO5 MolecularWeight: 413.50664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5/c1-4-29-21-10-9-19(16-22(21)30-5-2)23(18-7-6-8-20(15-18)28-3)25-13-11-17(12-14-25)24(26)27/h6-10,15-17,23H,4-5,11-14H2,1-3H3,(H,26,27)