2-[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(E)-3-(o-tolyl)prop-2-enoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(E)-3-(o-tolyl)acryloyl]piperazino]acetic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C16H20N2O3/c1-13-4-2-3-5-14(13)6-7-15(19)18-10-8-17(9-11-18)12-16(20)21/h2-7H,8-12H2,1H3,(H,20,21)/b7-6+