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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=C(C=C5)C.Cl.Cl

Isomeric SMILES

CC1CN(CCN1CCCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=C(C=C5)C.Cl.Cl

InChI

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