4-[(1-oxidanylidene-6-propan-2-yl-3,4-dihydroisochromen-3-yl)carbonylamino]benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-11(2)13-5-8-16-14(9-13)10-17(26-20(16)25)18(22)21-15-6-3-12(4-7-15)19(23)24/h3-9,11,17H,10H2,1-2H3,(H,21,22)(H,23,24)