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

Systemtic Name: dodecyl 2-[1-(3-methylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(3-methylbenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-methylphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(3-methylbenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-(3-keto-1-m-toluoyl-piperazin-2-yl)acetic acid lauryl ester Formula: C26H40N2O4 MolecularWeight: 444.6068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N2O4/c1-3-4-5-6-7-8-9-10-11-12-18-32-24(29)20-23-25(30)27-16-17-28(23)26(31)22-15-13-14-21(2)19-22/h13-15,19,23H,3-12,16-18,20H2,1-2H3,(H,27,30)