pentyl 2-[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(E)-3-p-phenetylacryloyl]piperazin-2-yl]acetic acid amyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C=CC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)/C=C/C2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H30N2O5/c1-3-5-6-15-29-21(26)16-19-22(27)23-13-14-24(19)20(25)12-9-17-7-10-18(11-8-17)28-4-2/h7-12,19H,3-6,13-16H2,1-2H3,(H,23,27)/b12-9+