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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4/c1-13-5-8-16(9-6-13)24-11-3-4-18(21)20-17-10-7-15(19(22)23)12-14(17)2/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)(H,22,23)