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

Systemtic Name: ethyl 4-[8-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[(4-cyclopentyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-2-methyl-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-methyl-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C29H35N2O6+ MolecularWeight: 507.598

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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)C5CCCC5)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CC[NH+](CC4)C5CCCC5)O)C

InChI

InChI=1S/C29H34N2O6/c1-3-35-29(34)20-8-10-22(11-9-20)37-27-19(2)36-28-23(26(27)33)12-13-25(32)24(28)18-30-14-16-31(17-15-30)21-6-4-5-7-21/h8-13,21,32H,3-7,14-18H2,1-2H3/p+1