6-[[(E)-2-[(3-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-[[(E)-2-[(3-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-2-[(3-bromobenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-2-[(3-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-2-[(3-bromobenzoyl)amino]-3-phenyl-acryloyl]amino]hexanoic acid Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C(=O)NCCCCCC(=O)O)NC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\C(=O)NCCCCCC(=O)O)/NC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C22H23BrN2O4/c23-18-11-7-10-17(15-18)21(28)25-19(14-16-8-3-1-4-9-16)22(29)24-13-6-2-5-12-20(26)27/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,24,29)(H,25,28)(H,26,27)/b19-14+