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

Systemtic Name: 3-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate Openeye Name: 3-[2-methyl-4-(p-tolyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid 3-[2-methyl-4-(4-methylphenyl)-1-piperazinyl]propyl ester IUPAC Name: 3-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid 3-[2-methyl-4-(p-tolyl)piperazino]propyl ester Formula: C29H32N2O3 MolecularWeight: 456.57598

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O3/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