(3S)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-[(1S)-1-(4-bromophenyl)ethyl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C19H18BrNO3 MolecularWeight: 388.25512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)[C@@]2(CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C19H18BrNO3/c1-12(13-7-9-15(20)10-8-13)21-18(23)19(2)11-14-5-3-4-6-16(14)17(22)24-19/h3-10,12H,11H2,1-2H3,(H,21,23)/t12-,19-/m0/s1