ethyl 2-[3-(phenylmethyl)piperazin-1-yl]hexanoate

Systemtic Name: ethyl 2-[3-(phenylmethyl)piperazin-1-yl]hexanoate Openeye Name: ethyl 2-(3-benzylpiperazin-1-yl)hexanoate CAS Name: 2-[3-(phenylmethyl)-1-piperazinyl]hexanoic acid ethyl ester IUPAC Name: ethyl 2-(3-benzylpiperazin-1-yl)hexanoate Traditional Name: 2-(3-benzylpiperazino)hexanoic acid ethyl ester Formula: C19H30N2O2 MolecularWeight: 318.4537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)N1CCNC(C1)CC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)OCC)N1CCNC(C1)CC2=CC=CC=C2

InChI

InChI=1S/C19H30N2O2/c1-3-5-11-18(19(22)23-4-2)21-13-12-20-17(15-21)14-16-9-7-6-8-10-16/h6-10,17-18,20H,3-5,11-15H2,1-2H3