[1,4-bis(phenylmethyl)piperazin-2-yl]methyl N-(2-ethylhexyl)carbamate

Systemtic Name: [1,4-bis(phenylmethyl)piperazin-2-yl]methyl N-(2-ethylhexyl)carbamate Openeye Name: (1,4-dibenzylpiperazin-2-yl)methyl N-(2-ethylhexyl)carbamate CAS Name: N-(2-ethylhexyl)carbamic acid [1,4-bis(phenylmethyl)-2-piperazinyl]methyl ester IUPAC Name: (1,4-dibenzylpiperazin-2-yl)methyl N-(2-ethylhexyl)carbamate Traditional Name: N-(2-ethylhexyl)carbamic acid (1,4-dibenzylpiperazin-2-yl)methyl ester Formula: C28H41N3O2 MolecularWeight: 451.64404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)OCC1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCC(CC)CNC(=O)OCC1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C28H41N3O2/c1-3-5-12-24(4-2)19-29-28(32)33-23-27-22-30(20-25-13-8-6-9-14-25)17-18-31(27)21-26-15-10-7-11-16-26/h6-11,13-16,24,27H,3-5,12,17-23H2,1-2H3,(H,29,32)