3-methylbutyl 2-[1-[2-(2-methylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[2-(2-methylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(2-methylphenoxy)butanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-methylphenoxy)-1-oxobutyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(2-methylphenoxy)butanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(2-methylphenoxy)butanoyl]piperazin-2-yl]acetic acid isoamyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCNC(=O)C1CC(=O)OCCC(C)C)OC2=CC=CC=C2C

Isomeric SMILES

CCC(C(=O)N1CCNC(=O)C1CC(=O)OCCC(C)C)OC2=CC=CC=C2C

InChI

InChI=1S/C22H32N2O5/c1-5-18(29-19-9-7-6-8-16(19)4)22(27)24-12-11-23-21(26)17(24)14-20(25)28-13-10-15(2)3/h6-9,15,17-18H,5,10-14H2,1-4H3,(H,23,26)