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

Systemtic Name: 3-phenylpropyl 2-[1-[2-(2-methylprop-2-enoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-[2-(2-methylallyloxy)benzoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[2-(2-methylprop-2-enoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[2-(2-methylprop-2-enoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(2-methylallyloxy)benzoyl]piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(=C)COC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O5/c1-19(2)18-33-23-13-7-6-12-21(23)26(31)28-15-14-27-25(30)22(28)17-24(29)32-16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,22H,1,8,11,14-18H2,2H3,(H,27,30)