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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4/c1-3-4-5-11-25-17(22)13-16-18(23)20-9-10-21(16)19(24)15-8-6-7-14(2)12-15/h6-8,12,16H,3-5,9-11,13H2,1-2H3,(H,20,23)