4-[[2-[(2-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-[[2-[(2-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[2-[(2-bromobenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[2-[[(2-bromophenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[2-[(2-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[2-[(2-bromobenzoyl)amino]-3-phenyl-acryloyl]amino]butyric acid Formula: C20H19BrN2O4 MolecularWeight: 431.27986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C(=O)NCCCC(=O)O)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

C1=CC=C(C=C1)C=C(C(=O)NCCCC(=O)O)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H19BrN2O4/c21-16-10-5-4-9-15(16)19(26)23-17(13-14-7-2-1-3-8-14)20(27)22-12-6-11-18(24)25/h1-5,7-10,13H,6,11-12H2,(H,22,27)(H,23,26)(H,24,25)