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

Systemtic Name: 4-methyl-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[(E)-3-(m-tolyl)prop-2-enoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[(E)-3-(m-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(=C1)C=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)9-14(16(19)20)17-15(18)8-7-13-6-4-5-12(3)10-13/h4-8,10-11,14H,9H2,1-3H3,(H,17,18)(H,19,20)/b8-7+