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

Systemtic Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)acryloyl]amino]-4-methyl-valeric acid Formula: C22H23ClN2O4 MolecularWeight: 414.88202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(=CC1=CC=CC=C1Cl)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)/C(=C\C1=CC=CC=C1Cl)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H23ClN2O4/c1-14(2)12-19(22(28)29)25-21(27)18(13-16-10-6-7-11-17(16)23)24-20(26)15-8-4-3-5-9-15/h3-11,13-14,19H,12H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/b18-13+