3-methyl-4-[4-(3-methylphenoxy)butanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[4-(3-methylphenoxy)butanoylamino]benzoic acid Openeye Name: 3-methyl-4-[4-(3-methylphenoxy)butanoylamino]benzoic acid CAS Name: 3-methyl-4-[[4-(3-methylphenoxy)-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[4-(3-methylphenoxy)butanoylamino]benzoic acid Traditional Name: 3-methyl-4-[4-(3-methylphenoxy)butanoylamino]benzoic acid Formula: C19H21NO4 MolecularWeight: 327.37434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C19H21NO4/c1-13-5-3-6-16(11-13)24-10-4-7-18(21)20-17-9-8-15(19(22)23)12-14(17)2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)(H,22,23)