(3S)-N-[(6-methoxypyridin-3-yl)methyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-[(6-methoxypyridin-3-yl)methyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-[(6-methoxy-3-pyridyl)methyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[(6-methoxypyridin-3-yl)methyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-N-[(6-methoxy-3-pyridyl)methyl]-3-phenyl-isochroman-6-carboxamide Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

COC1=NC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O4/c1-28-21-10-7-15(13-24-21)14-25-22(26)17-8-9-19-18(11-17)12-20(29-23(19)27)16-5-3-2-4-6-16/h2-11,13,20H,12,14H2,1H3,(H,25,26)/t20-/m0/s1