2-[(2-benzamido-3-methyl-but-2-enoyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-benzamido-3-methyl-but-2-enoyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-benzamido-3-methyl-but-2-enoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(2-benzamido-3-methyl-1-oxobut-2-enyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-benzamido-3-methylbut-2-enoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-benzamido-3-methyl-but-2-enoyl)amino]-3-phenyl-propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC(=C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C21H22N2O4/c1-14(2)18(23-19(24)16-11-7-4-8-12-16)20(25)22-17(21(26)27)13-15-9-5-3-6-10-15/h3-12,17H,13H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)