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

Systemtic Name: dodecyl 2-[1-[2-(2-methylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[2-(2-methylphenoxy)butanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-methylphenoxy)-1-oxobutyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[2-(2-methylphenoxy)butanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(2-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=C2C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C(CC)OC2=CC=CC=C2C

InChI

InChI=1S/C29H46N2O5/c1-4-6-7-8-9-10-11-12-13-16-21-35-27(32)22-24-28(33)30-19-20-31(24)29(34)25(5-2)36-26-18-15-14-17-23(26)3/h14-15,17-18,24-25H,4-13,16,19-22H2,1-3H3,(H,30,33)