3-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid

Systemtic Name: 3-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid Openeye Name: 3-methyl-2-[3-(5-methyl-2-furyl)propanoylamino]benzoic acid CAS Name: 3-methyl-2-[[3-(5-methyl-2-furanyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid Traditional Name: 3-methyl-2-[3-(5-methyl-2-furyl)propanoylamino]benzoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)CCC2=CC=C(O2)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)CCC2=CC=C(O2)C)C(=O)O

InChI

InChI=1S/C16H17NO4/c1-10-4-3-5-13(16(19)20)15(10)17-14(18)9-8-12-7-6-11(2)21-12/h3-7H,8-9H2,1-2H3,(H,17,18)(H,19,20)