phenethyl 2-[1-[4-(2-methylprop-2-enoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-[4-(2-methylprop-2-enoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-[4-(2-methylallyloxy)benzoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[4-(2-methylprop-2-enoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[4-(2-methylprop-2-enoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[4-(2-methylallyloxy)benzoyl]piperazin-2-yl]acetic acid phenethyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC(=C)COC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O5/c1-18(2)17-32-21-10-8-20(9-11-21)25(30)27-14-13-26-24(29)22(27)16-23(28)31-15-12-19-6-4-3-5-7-19/h3-11,22H,1,12-17H2,2H3,(H,26,29)