(3S)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)-1-oxidanylidene-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)-1-oxidanylidene-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)-1-oxo-isochromane-6-carboxamide CAS Name: (3S)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)-1-keto-isochroman-6-carboxamide Formula: C24H19ClN2O4 MolecularWeight: 434.87166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H19ClN2O4/c1-14(28)26-19-7-9-20(10-8-19)27-23(29)16-4-11-21-17(12-16)13-22(31-24(21)30)15-2-5-18(25)6-3-15/h2-12,22H,13H2,1H3,(H,26,28)(H,27,29)/t22-/m0/s1