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

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-[2-(4-phenylphenoxy)propanoyl]piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-[2-(4-phenylphenoxy)propanoyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[1-oxo-2-(4-phenylphenoxy)propyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-[2-(4-phenylphenoxy)propanoyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(4-phenylphenoxy)propanoyl]piperazin-2-yl]acetic acid isoamyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5/c1-18(2)13-16-32-24(29)17-23-25(30)27-14-15-28(23)26(31)19(3)33-22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-12,18-19,23H,13-17H2,1-3H3,(H,27,30)