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

Systemtic Name: ethyl 4-[8-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]-7-hydroxy-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[[4-(2-cyanoethyl)-1-piperazinyl]methyl]-7-hydroxy-2-methyl-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-2-methyl-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[[4-(2-cyanoethyl)piperazino]methyl]-7-hydroxy-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCN(CC4)CCC#N)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCN(CC4)CCC#N)O)C

InChI

InChI=1S/C27H29N3O6/c1-3-34-27(33)19-5-7-20(8-6-19)36-25-18(2)35-26-21(24(25)32)9-10-23(31)22(26)17-30-15-13-29(14-16-30)12-4-11-28/h5-10,31H,3-4,12-17H2,1-2H3