butan-2-yl 2-[1-[3-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[1-[3-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(3-isobutoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-(2-methylpropoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[3-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-isobutoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C21H30N2O5/c1-5-15(4)28-19(24)12-18-20(25)22-9-10-23(18)21(26)16-7-6-8-17(11-16)27-13-14(2)3/h6-8,11,14-15,18H,5,9-10,12-13H2,1-4H3,(H,22,25)