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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19NO5/c1-20(11-15-5-3-4-6-16(15)18(23)26-20)19(24)21-12-13-7-9-14(10-8-13)17(22)25-2/h3-10H,11-12H2,1-2H3,(H,21,24)/t20-/m0/s1