phenethyl 2-[1-[3-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-[3-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-(3-isopentyloxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-(3-methylbutoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[3-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-isoamoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5/c1-19(2)11-15-32-22-10-6-9-21(17-22)26(31)28-14-13-27-25(30)23(28)18-24(29)33-16-12-20-7-4-3-5-8-20/h3-10,17,19,23H,11-16,18H2,1-2H3,(H,27,30)