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

Systemtic Name: (3S)-N-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O4/c1-15-20(26)8-5-9-21(15)28-23(29)14-27-24(30)17-10-11-19-18(12-17)13-22(32-25(19)31)16-6-3-2-4-7-16/h2-12,22H,13-14H2,1H3,(H,27,30)(H,28,29)/t22-/m0/s1