3-methylbutylcarbamoyl 4-[3-(4-hexanoylphenoxy)propyl]piperazine-1-carboxylate

Systemtic Name: 3-methylbutylcarbamoyl 4-[3-(4-hexanoylphenoxy)propyl]piperazine-1-carboxylate Openeye Name: isopentylcarbamoyl 4-[3-(4-hexanoylphenoxy)propyl]piperazine-1-carboxylate CAS Name: 4-[3-[4-(1-oxohexyl)phenoxy]propyl]-1-piperazinecarboxylic acid [(3-methylbutylamino)-oxomethyl] ester IUPAC Name: 3-methylbutylcarbamoyl 4-[3-(4-hexanoylphenoxy)propyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-caproylphenoxy)propyl]piperazine-1-carboxylic acid isoamylcarbamoyl ester Formula: C26H41N3O5 MolecularWeight: 475.62084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)OC(=O)NCCC(C)C

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)OC(=O)NCCC(C)C

InChI

InChI=1S/C26H41N3O5/c1-4-5-6-8-24(30)22-9-11-23(12-10-22)33-20-7-15-28-16-18-29(19-17-28)26(32)34-25(31)27-14-13-21(2)3/h9-12,21H,4-8,13-20H2,1-3H3,(H,27,31)