3-methylbutyl 2-[3-oxidanylidene-1-[2-(4-phenylphenoxy)ethanoyl]piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-[2-(4-phenylphenoxy)ethanoyl]piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[1-oxo-2-(4-phenylphenoxy)ethyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(4-phenylphenoxy)acetyl]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)COC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC=C(C=C2)C3=CC=CC=C3

InChI

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