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

Systemtic Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate hydrochloride Openeye Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate hydrochloride CAS Name: 9H-xanthene-9-carboxylic acid 3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl ester hydrochloride IUPAC Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate hydrochloride Traditional Name: 9H-xanthene-9-carboxylic acid 3-[4-(2-methoxyphenyl)piperazino]propyl ester hydrochloride Formula: C28H31ClN2O4 MolecularWeight: 495.00974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.Cl

InChI

InChI=1S/C28H30N2O4.ClH/c1-32-26-14-7-4-11-23(26)30-18-16-29(17-19-30)15-8-20-33-28(31)27-21-9-2-5-12-24(21)34-25-13-6-3-10-22(25)27;/h2-7,9-14,27H,8,15-20H2,1H3;1H