4-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]methyl]-6-ethoxy-chromen-2-one

Systemtic Name: 4-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]methyl]-6-ethoxy-chromen-2-one Openeye Name: 4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-6-ethoxy-chromen-2-one CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-6-ethoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-6-ethoxychromen-2-one Traditional Name: 6-ethoxy-4-[(4-veratroylpiperazino)methyl]coumarin Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC

InChI

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