4-methyl-2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[(E)-3-(o-tolyl)prop-2-enoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[(E)-3-(o-tolyl)acryloyl]amino]valeric acid Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C16H21NO3/c1-11(2)10-14(16(19)20)17-15(18)9-8-13-7-5-4-6-12(13)3/h4-9,11,14H,10H2,1-3H3,(H,17,18)(H,19,20)/b9-8+