3-[4-(4-methoxy-3-methyl-phenyl)butanoylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCCC(=O)NC2=CC=CC(=C2)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CCCC(=O)NC2=CC=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C19H21NO4/c1-13-11-14(9-10-17(13)24-2)5-3-8-18(21)20-16-7-4-6-15(12-16)19(22)23/h4,6-7,9-12H,3,5,8H2,1-2H3,(H,20,21)(H,22,23)