(phenylmethyl) (E)-2-bromanyl-6-[(3,4-dimethylphenyl)carbonylamino]hex-2-enoate

Systemtic Name: (phenylmethyl) (E)-2-bromanyl-6-[(3,4-dimethylphenyl)carbonylamino]hex-2-enoate Openeye Name: benzyl (E)-2-bromo-6-[(3,4-dimethylbenzoyl)amino]hex-2-enoate CAS Name: (E)-2-bromo-6-[[(3,4-dimethylphenyl)-oxomethyl]amino]-2-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-2-bromo-6-[(3,4-dimethylbenzoyl)amino]hex-2-enoate Traditional Name: (E)-2-bromo-6-[(3,4-dimethylbenzoyl)amino]hex-2-enoic acid benzyl ester Formula: C22H24BrNO3 MolecularWeight: 430.33486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCC=C(C(=O)OCC2=CC=CC=C2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC/C=C(\C(=O)OCC2=CC=CC=C2)/Br)C

InChI

InChI=1S/C22H24BrNO3/c1-16-11-12-19(14-17(16)2)21(25)24-13-7-6-10-20(23)22(26)27-15-18-8-4-3-5-9-18/h3-5,8-12,14H,6-7,13,15H2,1-2H3,(H,24,25)/b20-10+