2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 2-[[(E)-3-(o-tolyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 2-[[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 2-[[(E)-3-(o-tolyl)acryloyl]amino]hexanoic acid Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C=CC1=CC=CC=C1C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)/C=C/C1=CC=CC=C1C

InChI

InChI=1S/C16H21NO3/c1-3-4-9-14(16(19)20)17-15(18)11-10-13-8-6-5-7-12(13)2/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,17,18)(H,19,20)/b11-10+