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

Systemtic Name: 3-methylbutyl 2-[1-(3-methylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(3-methylbenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-methylphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(3-methylbenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-(3-keto-1-m-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(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

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