3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride

Systemtic Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride Openeye Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride CAS Name: 9H-xanthene-9-carboxylic acid 3-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl ester dihydrochloride IUPAC Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride Traditional Name: 9H-xanthene-9-carboxylic acid 3-[4-(2,5-dimethylphenyl)piperazino]propyl ester dihydrochloride Formula: C29H34Cl2N2O3 MolecularWeight: 529.49786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.Cl.Cl

InChI

InChI=1S/C29H32N2O3.2ClH/c1-21-12-13-22(2)25(20-21)31-17-15-30(16-18-31)14-7-19-33-29(32)28-23-8-3-5-10-26(23)34-27-11-6-4-9-24(27)28;;/h3-6,8-13,20,28H,7,14-19H2,1-2H3;2*1H