4-[(3-methyl-1-oxidanylidene-6-propan-2-yl-4H-isochromen-3-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(3-methyl-1-oxidanylidene-6-propan-2-yl-4H-isochromen-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[(6-isopropyl-3-methyl-1-oxo-isochromane-3-carbonyl)amino]benzoic acid CAS Name: 4-[[(3-methyl-1-oxo-6-propan-2-yl-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(6-isopropyl-1-keto-3-methyl-isochroman-3-carbonyl)amino]benzoic acid Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-12(2)14-6-9-17-15(10-14)11-21(3,27-19(17)25)20(26)22-16-7-4-13(5-8-16)18(23)24/h4-10,12H,11H2,1-3H3,(H,22,26)(H,23,24)