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

Systemtic Name: ethyl 4-[2-methyl-7-oxidanyl-4-oxidanylidene-8-[(4-prop-2-enylpiperazin-1-yl)methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[(4-allylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-4-oxo-8-[(4-prop-2-enyl-1-piperazinyl)methyl]-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-2-methyl-4-oxo-8-[(4-prop-2-enylpiperazin-1-yl)methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[8-[(4-allylpiperazino)methyl]-7-hydroxy-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C27H30N2O6 MolecularWeight: 478.5369

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O6/c1-4-12-28-13-15-29(16-14-28)17-22-23(30)11-10-21-24(31)25(18(3)34-26(21)22)35-20-8-6-19(7-9-20)27(32)33-5-2/h4,6-11,30H,1,5,12-17H2,2-3H3