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

Systemtic Name: 2-methylpropylcarbamoyl 4-[3-(4-hexanoylphenoxy)propyl]piperazine-1-carboxylate Openeye Name: isobutylcarbamoyl 4-[3-(4-hexanoylphenoxy)propyl]piperazine-1-carboxylate CAS Name: 4-[3-[4-(1-oxohexyl)phenoxy]propyl]-1-piperazinecarboxylic acid [(2-methylpropylamino)-oxomethyl] ester IUPAC Name: 2-methylpropylcarbamoyl 4-[3-(4-hexanoylphenoxy)propyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-caproylphenoxy)propyl]piperazine-1-carboxylic acid isobutylcarbamoyl ester Formula: C25H39N3O5 MolecularWeight: 461.59426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O5/c1-4-5-6-8-23(29)21-9-11-22(12-10-21)32-18-7-13-27-14-16-28(17-15-27)25(31)33-24(30)26-19-20(2)3/h9-12,20H,4-8,13-19H2,1-3H3,(H,26,30)