3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate

Systemtic Name: 3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate Openeye Name: 3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid 3-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]propyl ester IUPAC Name: 3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid 3-[4-(3,4,5-trimethoxybenzyl)piperazino]propyl ester Formula: C31H36N2O6 MolecularWeight: 532.62734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C31H36N2O6/c1-35-27-19-22(20-28(36-2)30(27)37-3)21-33-16-14-32(15-17-33)13-8-18-38-31(34)29-23-9-4-6-11-25(23)39-26-12-7-5-10-24(26)29/h4-7,9-12,19-20,29H,8,13-18,21H2,1-3H3