tert-butyl N-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-N-(2-oxidanylideneethyl)carbamate

Systemtic Name: tert-butyl N-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-N-(2-oxidanylideneethyl)carbamate Openeye Name: tert-butyl N-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-N-(2-oxoethyl)carbamate CAS Name: N-(2-oxoethyl)-N-[4-[3-[4-(1-oxohexyl)phenoxy]propyl]-1-piperazinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-N-(2-oxoethyl)carbamate Traditional Name: N-[4-[3-(4-caproylphenoxy)propyl]piperazino]-N-(2-ketoethyl)carbamic acid tert-butyl ester Formula: C26H41N3O5 MolecularWeight: 475.62084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41N3O5/c1-5-6-7-9-24(31)22-10-12-23(13-11-22)33-21-8-14-27-15-17-28(18-16-27)29(19-20-30)25(32)34-26(2,3)4/h10-13,20H,5-9,14-19,21H2,1-4H3