ethyl 4-[[3-(4-ethoxycarbonylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(4-ethoxycarbonylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(4-carbethoxyphenoxy)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H30N2O8 MolecularWeight: 510.5357

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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)C(=O)OCC)O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O8/c1-4-34-26(32)18-6-8-19(9-7-18)37-24-17(3)36-25-20(23(24)31)10-11-22(30)21(25)16-28-12-14-29(15-13-28)27(33)35-5-2/h6-11,30H,4-5,12-16H2,1-3H3