dodecyl 2-[1-[2-(3-methylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-[2-(3-methylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[2-(3-methylphenoxy)butanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(3-methylphenoxy)-1-oxobutyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[2-(3-methylphenoxy)butanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(3-methylphenoxy)butanoyl]piperazin-2-yl]acetic acid lauryl ester Formula: C29H46N2O5 MolecularWeight: 502.68594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C(CC)OC2=CC=CC(=C2)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C(CC)OC2=CC=CC(=C2)C

InChI

InChI=1S/C29H46N2O5/c1-4-6-7-8-9-10-11-12-13-14-20-35-27(32)22-25-28(33)30-18-19-31(25)29(34)26(5-2)36-24-17-15-16-23(3)21-24/h15-17,21,25-26H,4-14,18-20,22H2,1-3H3,(H,30,33)