4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]benzoic acid Openeye Name: 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]benzoic acid CAS Name: 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]benzoic acid IUPAC Name: 4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]benzoic acid Traditional Name: 4-methyl-3-[(2,4,5-trimethoxybenzyl)amino]benzoic acid Formula: C18H21NO5 MolecularWeight: 331.36304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NCC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NCC2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C18H21NO5/c1-11-5-6-12(18(20)21)7-14(11)19-10-13-8-16(23-3)17(24-4)9-15(13)22-2/h5-9,19H,10H2,1-4H3,(H,20,21)