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

Systemtic Name: ethyl 4-[2-methyl-8-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-8-[(4-isobutylpiperazin-1-yl)methyl]-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-8-[[4-(2-methylpropyl)-1-piperazinyl]methyl]-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-2-methyl-8-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-8-[(4-isobutylpiperazino)methyl]-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C28H34N2O6 MolecularWeight: 494.57936

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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)CC(C)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O6/c1-5-34-28(33)20-6-8-21(9-7-20)36-26-19(4)35-27-22(25(26)32)10-11-24(31)23(27)17-30-14-12-29(13-15-30)16-18(2)3/h6-11,18,31H,5,12-17H2,1-4H3