methyl 4-[4-chloranyl-2-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]phenoxy]benzoate

Systemtic Name: methyl 4-[4-chloranyl-2-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]phenoxy]benzoate Openeye Name: methyl 4-[4-chloro-2-[[(3R)-1-oxoisochromane-3-carbonyl]amino]phenoxy]benzoate CAS Name: 4-[4-chloro-2-[[oxo-[(3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]methyl]amino]phenoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-chloro-2-[[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]phenoxy]benzoate Traditional Name: 4-[4-chloro-2-[[(3R)-1-ketoisochroman-3-carbonyl]amino]phenoxy]benzoic acid methyl ester Formula: C24H18ClNO6 MolecularWeight: 451.85582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C24H18ClNO6/c1-30-23(28)14-6-9-17(10-7-14)31-20-11-8-16(25)13-19(20)26-22(27)21-12-15-4-2-3-5-18(15)24(29)32-21/h2-11,13,21H,12H2,1H3,(H,26,27)/t21-/m1/s1