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

Systemtic Name: 3-phenylpropyl 2-(1-octanoyl-3-oxidanylidene-piperazin-2-yl)ethanoate Openeye Name: 3-phenylpropyl 2-(1-octanoyl-3-oxo-piperazin-2-yl)acetate CAS Name: 2-[3-oxo-1-(1-oxooctyl)-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-(1-octanoyl-3-oxopiperazin-2-yl)acetate Traditional Name: 2-(1-caprylyl-3-keto-piperazin-2-yl)acetic acid 3-phenylpropyl ester Formula: C23H34N2O4 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H34N2O4/c1-2-3-4-5-9-14-21(26)25-16-15-24-23(28)20(25)18-22(27)29-17-10-13-19-11-7-6-8-12-19/h6-8,11-12,20H,2-5,9-10,13-18H2,1H3,(H,24,28)