6-[[(Z)-2-[(3-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]hexanoate

Systemtic Name: 6-[[(Z)-2-[(3-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]hexanoate Openeye Name: 6-[[(Z)-2-[(3-bromobenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]hexanoate CAS Name: 6-[[(Z)-2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]hexanoate IUPAC Name: 6-[[(Z)-2-[(3-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]hexanoate Traditional Name: 6-[[(Z)-2-[(3-bromobenzoyl)amino]-3-phenyl-acryloyl]amino]hexanoate Formula: C22H22BrN2O4- MolecularWeight: 458.32508

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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)/p-1/b19-14-