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

Systemtic Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)acryloyl]amino]-3-methyl-butyric acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4/c1-13(2)18(21(27)28)24-20(26)17(12-15-10-6-7-11-16(15)22)23-19(25)14-8-4-3-5-9-14/h3-13,18H,1-2H3,(H,23,25)(H,24,26)(H,27,28)/b17-12+