4-[(6-ethyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(6-ethyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[(6-ethyl-3-methyl-1-oxo-isochromane-3-carbonyl)amino]benzoic acid CAS Name: 4-[[(6-ethyl-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(6-ethyl-3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(6-ethyl-1-keto-3-methyl-isochroman-3-carbonyl)amino]benzoic acid Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H19NO5/c1-3-12-4-9-16-14(10-12)11-20(2,26-18(16)24)19(25)21-15-7-5-13(6-8-15)17(22)23/h4-10H,3,11H2,1-2H3,(H,21,25)(H,22,23)