dodecyl 2-(3-oxidanylidene-1-pyridin-3-ylcarbonyl-piperazin-2-yl)ethanoate

Systemtic Name: dodecyl 2-(3-oxidanylidene-1-pyridin-3-ylcarbonyl-piperazin-2-yl)ethanoate Openeye Name: dodecyl 2-[3-oxo-1-(pyridine-3-carbonyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo(3-pyridinyl)methyl]-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[3-oxo-1-(pyridine-3-carbonyl)piperazin-2-yl]acetate Traditional Name: 2-(3-keto-1-nicotinoyl-piperazin-2-yl)acetic acid lauryl ester Formula: C24H37N3O4 MolecularWeight: 431.56828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O4/c1-2-3-4-5-6-7-8-9-10-11-17-31-22(28)18-21-23(29)26-15-16-27(21)24(30)20-13-12-14-25-19-20/h12-14,19,21H,2-11,15-18H2,1H3,(H,26,29)