2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(E)-2-benzamido-3-(2-chlorophenyl)acryloyl]amino]-3-phenyl-propionic acid Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(=CC2=CC=CC=C2Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C\C2=CC=CC=C2Cl)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21ClN2O4/c26-20-14-8-7-13-19(20)16-21(27-23(29)18-11-5-2-6-12-18)24(30)28-22(25(31)32)15-17-9-3-1-4-10-17/h1-14,16,22H,15H2,(H,27,29)(H,28,30)(H,31,32)/b21-16+