3-methyl-4-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]benzoic acid Openeye Name: 3-methyl-4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic acid CAS Name: 3-methyl-4-[[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propanoylamino]-3-methyl-benzoic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H20N2O5/c1-12-11-14(20(25)26)7-8-15(12)21-18(23)9-10-22-16-5-3-4-6-17(16)27-13(2)19(22)24/h3-8,11,13H,9-10H2,1-2H3,(H,21,23)(H,25,26)