[8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-oxidanylidene-chromen-7-yl] benzoate

Systemtic Name: [8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-oxidanylidene-chromen-7-yl] benzoate Openeye Name: [8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-oxo-chromen-7-yl] benzoate CAS Name: benzoic acid [8-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-oxochromen-7-yl] benzoate Traditional Name: benzoic acid [2-keto-8-[(4-piperonylpiperazino)methyl]chromen-7-yl] ester Formula: C29H26N2O6 MolecularWeight: 498.52654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC5=C4OC(=O)C=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC5=C4OC(=O)C=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H26N2O6/c32-27-11-8-21-7-10-24(36-29(33)22-4-2-1-3-5-22)23(28(21)37-27)18-31-14-12-30(13-15-31)17-20-6-9-25-26(16-20)35-19-34-25/h1-11,16H,12-15,17-19H2