phenethyl 2-[1-[2-(2,6-dimethylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-[2-(2,6-dimethylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-[2-(2,6-dimethylphenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2,6-dimethylphenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[2-(2,6-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2,6-dimethylphenoxy)propanoyl]-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5/c1-17-8-7-9-18(2)23(17)32-19(3)25(30)27-14-13-26-24(29)21(27)16-22(28)31-15-12-20-10-5-4-6-11-20/h4-11,19,21H,12-16H2,1-3H3,(H,26,29)