[1-(4-methylpiperazin-1-yl)-3-(2-methylpropoxy)propan-2-yl] 2-phenylbutanoate

Systemtic Name: [1-(4-methylpiperazin-1-yl)-3-(2-methylpropoxy)propan-2-yl] 2-phenylbutanoate Openeye Name: [1-(isobutoxymethyl)-2-(4-methylpiperazin-1-yl)ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [1-(4-methyl-1-piperazinyl)-3-(2-methylpropoxy)propan-2-yl] ester IUPAC Name: [1-(4-methylpiperazin-1-yl)-3-(2-methylpropoxy)propan-2-yl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [1-(isobutoxymethyl)-2-(4-methylpiperazino)ethyl] ester Formula: C22H36N2O3 MolecularWeight: 376.53284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC(CN2CCN(CC2)C)COCC(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC(CN2CCN(CC2)C)COCC(C)C

InChI

InChI=1S/C22H36N2O3/c1-5-21(19-9-7-6-8-10-19)22(25)27-20(17-26-16-18(2)3)15-24-13-11-23(4)12-14-24/h6-10,18,20-21H,5,11-17H2,1-4H3