ethyl 4-[2-methyl-7-oxidanyl-4-oxidanylidene-8-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[2-methyl-7-oxidanyl-4-oxidanylidene-8-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-8-[(4-isopropylpiperazin-4-ium-1-yl)methyl]-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-4-oxo-8-[(4-propan-2-yl-1-piperazin-4-iumyl)methyl]-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-2-methyl-4-oxo-8-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-8-[(4-isopropylpiperazin-4-ium-1-yl)methyl]-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C27H33N2O6+ MolecularWeight: 481.56072

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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(=C3CN4CC[NH+](CC4)C(C)C)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CC[NH+](CC4)C(C)C)O)C

InChI

InChI=1S/C27H32N2O6/c1-5-33-27(32)19-6-8-20(9-7-19)35-25-18(4)34-26-21(24(25)31)10-11-23(30)22(26)16-28-12-14-29(15-13-28)17(2)3/h6-11,17,30H,5,12-16H2,1-4H3/p+1