2-[[(Z)-2-[(3-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(Z)-2-[(3-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(Z)-2-[(3-bromobenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(Z)-2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(Z)-2-[(3-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(Z)-2-[(3-bromobenzoyl)amino]-3-phenyl-acryloyl]amino]-3-phenyl-propionic acid Formula: C25H21BrN2O4 MolecularWeight: 493.34924

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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=C2)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C25H21BrN2O4/c26-20-13-7-12-19(16-20)23(29)27-21(14-17-8-3-1-4-9-17)24(30)28-22(25(31)32)15-18-10-5-2-6-11-18/h1-14,16,22H,15H2,(H,27,29)(H,28,30)(H,31,32)/b21-14-