(3S)-N-(2-chloranyl-4,6-dimethyl-phenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-(2-chloranyl-4,6-dimethyl-phenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-(2-chloro-4,6-dimethyl-phenyl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-(2-chloro-4,6-dimethylphenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(2-chloro-4,6-dimethylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-(2-chloro-4,6-dimethyl-phenyl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C19H18ClNO3 MolecularWeight: 343.80412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)[C@@]2(CC3=CC=CC=C3C(=O)O2)C)C

InChI

InChI=1S/C19H18ClNO3/c1-11-8-12(2)16(15(20)9-11)21-18(23)19(3)10-13-6-4-5-7-14(13)17(22)24-19/h4-9H,10H2,1-3H3,(H,21,23)/t19-/m0/s1