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

Systemtic Name: ethyl 4-[7-oxidanyl-4-oxidanylidene-8-[(4-phenylpiperazin-1-yl)methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-4-oxo-8-[(4-phenylpiperazin-1-yl)methyl]chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-4-oxo-8-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-4-oxo-8-[(4-phenylpiperazin-1-yl)methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-[(4-phenylpiperazino)methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C29H28N2O6 MolecularWeight: 500.54242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCN(CC4)C5=CC=CC=C5)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCN(CC4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H28N2O6/c1-2-35-29(34)20-8-10-22(11-9-20)37-26-19-36-28-23(27(26)33)12-13-25(32)24(28)18-30-14-16-31(17-15-30)21-6-4-3-5-7-21/h3-13,19,32H,2,14-18H2,1H3