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

Systemtic Name: ethyl 4-[8-[(4-ethylpiperazin-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[(4-ethyl-1-piperazinyl)methyl]-7-hydroxy-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[(4-ethylpiperazino)methyl]-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)O

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)O

InChI

InChI=1S/C25H28N2O6/c1-3-26-11-13-27(14-12-26)15-20-21(28)10-9-19-23(29)22(16-32-24(19)20)33-18-7-5-17(6-8-18)25(30)31-4-2/h5-10,16,28H,3-4,11-15H2,1-2H3