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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C2=CC=CC=C2C

InChI

InChI=1S/C18H24N2O4/c1-3-4-11-24-16(21)12-15-17(22)19-9-10-20(15)18(23)14-8-6-5-7-13(14)2/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,22)/t15-/m0/s1