dodecyl 2-[1-[2-(3,5-dimethylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-[2-(3,5-dimethylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(3,5-dimethylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(3,5-dimethylphenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C28H44N2O5 MolecularWeight: 488.65936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C28H44N2O5/c1-4-5-6-7-8-9-10-11-12-13-16-34-27(32)20-25-28(33)29-14-15-30(25)26(31)21-35-24-18-22(2)17-23(3)19-24/h17-19,25H,4-16,20-21H2,1-3H3,(H,29,33)