4-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid

Systemtic Name: 4-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid Openeye Name: 4-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid CAS Name: 4-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid Traditional Name: 4-[(3,4,5-trimethoxybenzyl)amino]benzoic acid Formula: C17H19NO5 MolecularWeight: 317.33646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H19NO5/c1-21-14-8-11(9-15(22-2)16(14)23-3)10-18-13-6-4-12(5-7-13)17(19)20/h4-9,18H,10H2,1-3H3,(H,19,20)