ethyl 4-[8-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[[4-(2-cyanoethyl)-1-piperazinyl]methyl]-7-hydroxy-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]-7-hydroxy-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[[4-(2-cyanoethyl)piperazino]methyl]-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCN(CC4)CCC#N)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCN(CC4)CCC#N)O

InChI

InChI=1S/C26H27N3O6/c1-2-33-26(32)18-4-6-19(7-5-18)35-23-17-34-25-20(24(23)31)8-9-22(30)21(25)16-29-14-12-28(13-15-29)11-3-10-27/h4-9,17,30H,2-3,11-16H2,1H3