3-methylbutyl 2-[3-oxidanylidene-1-[(E)-3-phenylprop-2-enoyl]piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-[(E)-3-phenylprop-2-enoyl]piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-[(E)-3-phenylprop-2-enoyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(E)-1-oxo-3-phenylprop-2-enyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-[(E)-3-phenylprop-2-enoyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(E)-3-phenylacryloyl]piperazin-2-yl]acetic acid isoamyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H26N2O4/c1-15(2)10-13-26-19(24)14-17-20(25)21-11-12-22(17)18(23)9-8-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H,21,25)/b9-8+