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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl-(2,3-dimethoxyphenyl)methyl]nipecotic acid Formula: C24H31NO7 MolecularWeight: 445.50544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C24H31NO7/c1-28-18-10-6-9-16(23(18)32-5)22(25-11-7-8-15(14-25)24(26)27)17-12-20(30-3)21(31-4)13-19(17)29-2/h6,9-10,12-13,15,22H,7-8,11,14H2,1-5H3,(H,26,27)