1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[o-phenetyl-(3,4,5-trimethoxyphenyl)methyl]nipecotic acid Formula: C24H31NO6 MolecularWeight: 429.50604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C24H31NO6/c1-5-31-19-11-7-6-10-18(19)22(25-12-8-9-16(15-25)24(26)27)17-13-20(28-2)23(30-4)21(14-17)29-3/h6-7,10-11,13-14,16,22H,5,8-9,12,15H2,1-4H3,(H,26,27)