phenethyl 2-[1-(4-butan-2-yloxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-(4-butan-2-yloxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[3-oxo-1-(4-sec-butoxybenzoyl)piperazin-2-yl]acetate CAS Name: 2-[1-[(4-butan-2-yloxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-(4-butan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(4-sec-butoxybenzoyl)piperazin-2-yl]acetic acid phenethyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5/c1-3-18(2)32-21-11-9-20(10-12-21)25(30)27-15-14-26-24(29)22(27)17-23(28)31-16-13-19-7-5-4-6-8-19/h4-12,18,22H,3,13-17H2,1-2H3,(H,26,29)