propyl 4-[[(3S)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-3-12-26-18(23)14-8-10-16(11-9-14)22-20(25)21(2)13-15-6-4-5-7-17(15)19(24)27-21/h4-11H,3,12-13H2,1-2H3,(H,22,25)/t21-/m0/s1