(3S)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-(5-chloro-2,4-dimethoxy-phenyl)-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-(5-chloro-2,4-dimethoxy-phenyl)-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C24H20ClNO5 MolecularWeight: 437.8723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4)Cl)OC

InChI

InChI=1S/C24H20ClNO5/c1-29-21-13-22(30-2)19(12-18(21)25)26-23(27)15-8-9-17-16(10-15)11-20(31-24(17)28)14-6-4-3-5-7-14/h3-10,12-13,20H,11H2,1-2H3,(H,26,27)/t20-/m0/s1