(3S)-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-[2-(3-fluoroanilino)-2-keto-ethyl]-1-keto-N-methyl-3-phenyl-isochroman-6-carboxamide Formula: C25H21FN2O4 MolecularWeight: 432.443643

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H21FN2O4/c1-28(15-23(29)27-20-9-5-8-19(26)14-20)24(30)17-10-11-21-18(12-17)13-22(32-25(21)31)16-6-3-2-4-7-16/h2-12,14,22H,13,15H2,1H3,(H,27,29)/t22-/m0/s1