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

Systemtic Name: (3S)-3-(4-chlorophenyl)-N-(4-ethanoylphenyl)-1-oxidanylidene-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-oxo-isochromane-6-carboxamide CAS Name: (3S)-N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-keto-isochroman-6-carboxamide Formula: C24H18ClNO4 MolecularWeight: 419.85702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=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)C1=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/C24H18ClNO4/c1-14(27)15-4-9-20(10-5-15)26-23(28)17-6-11-21-18(12-17)13-22(30-24(21)29)16-2-7-19(25)8-3-16/h2-12,22H,13H2,1H3,(H,26,28)/t22-/m0/s1