3-methylbutyl 2-[3-oxidanylidene-1-(3-phenethyloxyphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(3-phenethyloxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-(3-phenethyloxybenzoyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(3-phenethyloxyphenyl)methyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-(3-phenethyloxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(3-phenethyloxybenzoyl)piperazin-2-yl]acetic acid isoamyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

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