propan-2-yl 4-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C20H19NO5/c1-12(2)25-19(23)13-7-9-15(10-8-13)21-18(22)17-11-14-5-3-4-6-16(14)20(24)26-17/h3-10,12,17H,11H2,1-2H3,(H,21,22)/t17-/m1/s1