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

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(3-phenylmethoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(3-benzyloxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(3-phenylmethoxyphenyl)methyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-(3-phenylmethoxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(3-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(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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