2-methoxy-5-[[(1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(1-oxo-3-phenyl-isochromane-6-carbonyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo-(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-yl)methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)amino]methyl]benzoic acid Traditional Name: 5-[[(1-keto-3-phenyl-isochroman-6-carbonyl)amino]methyl]-2-methoxy-benzoic acid Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO6/c1-31-21-10-7-15(11-20(21)24(28)29)14-26-23(27)17-8-9-19-18(12-17)13-22(32-25(19)30)16-5-3-2-4-6-16/h2-12,22H,13-14H2,1H3,(H,26,27)(H,28,29)