ethyl 4-[8-[[2-cyanoethyl(methyl)amino]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-[[2-cyanoethyl(methyl)amino]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[[2-cyanoethyl(methyl)amino]methyl]-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[[2-cyanoethyl(methyl)amino]methyl]-7-hydroxy-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[[2-cyanoethyl(methyl)amino]methyl]-7-hydroxy-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[[2-cyanoethyl(methyl)amino]methyl]-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN(C)CCC#N)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN(C)CCC#N)O

InChI

InChI=1S/C23H22N2O6/c1-3-29-23(28)15-5-7-16(8-6-15)31-20-14-30-22-17(21(20)27)9-10-19(26)18(22)13-25(2)12-4-11-24/h5-10,14,26H,3-4,12-13H2,1-2H3