2-phenoxyethyl 2-(1-octanoyl-3-oxidanylidene-piperazin-2-yl)ethanoate

Systemtic Name: 2-phenoxyethyl 2-(1-octanoyl-3-oxidanylidene-piperazin-2-yl)ethanoate Openeye Name: 2-phenoxyethyl 2-(1-octanoyl-3-oxo-piperazin-2-yl)acetate CAS Name: 2-[3-oxo-1-(1-oxooctyl)-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-(1-octanoyl-3-oxopiperazin-2-yl)acetate Traditional Name: 2-(1-caprylyl-3-keto-piperazin-2-yl)acetic acid 2-phenoxyethyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCNC(=O)C1CC(=O)OCCOC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)N1CCNC(=O)C1CC(=O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O5/c1-2-3-4-5-9-12-20(25)24-14-13-23-22(27)19(24)17-21(26)29-16-15-28-18-10-7-6-8-11-18/h6-8,10-11,19H,2-5,9,12-17H2,1H3,(H,23,27)