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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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