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

Systemtic Name: tert-butyl N-[3-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-oxo-3-[4-[3-[4-(1-oxohexyl)phenoxy]propyl]-1-piperazinyl]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-[3-(4-caproylphenoxy)propyl]piperazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C27H43N3O5 MolecularWeight: 489.64742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N3O5/c1-5-6-7-9-24(31)22-10-12-23(13-11-22)34-21-8-16-29-17-19-30(20-18-29)25(32)14-15-28-26(33)35-27(2,3)4/h10-13H,5-9,14-21H2,1-4H3,(H,28,33)