3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride

Systemtic Name: 3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride Openeye Name: 3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride CAS Name: 9H-xanthene-9-carboxylic acid 3-[4-(2-phenoxyethyl)-1-piperazinyl]propyl ester dihydrochloride IUPAC Name: 3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride Traditional Name: 9H-xanthene-9-carboxylic acid 3-[4-(2-phenoxyethyl)piperazino]propyl ester dihydrochloride Formula: C29H34Cl2N2O4 MolecularWeight: 545.49726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CCOC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CCOC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C29H32N2O4.2ClH/c32-29(28-24-11-4-6-13-26(24)35-27-14-7-5-12-25(27)28)34-21-8-15-30-16-18-31(19-17-30)20-22-33-23-9-2-1-3-10-23;;/h1-7,9-14,28H,8,15-22H2;2*1H