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

Systemtic Name: butan-2-yl 2-[1-(3-methylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(3-methylbenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-methylphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-(3-methylbenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-(3-keto-1-m-toluoyl-piperazin-2-yl)acetic acid sec-butyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-4-13(3)24-16(21)11-15-17(22)19-8-9-20(15)18(23)14-7-5-6-12(2)10-14/h5-7,10,13,15H,4,8-9,11H2,1-3H3,(H,19,22)