3-methylbutyl 2-[3-oxidanylidene-1-(4-phenylmethoxyphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(4-phenylmethoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(4-benzyloxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(4-phenylmethoxyphenyl)methyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-(4-phenylmethoxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(4-benzoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5/c1-18(2)12-15-31-23(28)16-22-24(29)26-13-14-27(22)25(30)20-8-10-21(11-9-20)32-17-19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3,(H,26,29)