methyl 4-[[(1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(1-oxo-3-phenyl-isochromane-6-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[oxo-(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(1-keto-3-phenyl-isochroman-6-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO5/c1-30-24(28)18-9-7-16(8-10-18)15-26-23(27)19-11-12-21-20(13-19)14-22(31-25(21)29)17-5-3-2-4-6-17/h2-13,22H,14-15H2,1H3,(H,26,27)