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

Systemtic Name: 3-methylbutyl 2-[1-(2-methylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(2-methylbenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(2-methylphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(2-methylbenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-(3-keto-1-o-toluoyl-piperazin-2-yl)acetic acid isoamyl ester Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C19H26N2O4/c1-13(2)8-11-25-17(22)12-16-18(23)20-9-10-21(16)19(24)15-7-5-4-6-14(15)3/h4-7,13,16H,8-12H2,1-3H3,(H,20,23)