2-methylpropyl (E)-3-(3-bromophenyl)-2-[(4-methylphenyl)carbonylamino]prop-2-enoate

Systemtic Name: 2-methylpropyl (E)-3-(3-bromophenyl)-2-[(4-methylphenyl)carbonylamino]prop-2-enoate Openeye Name: isobutyl (E)-3-(3-bromophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-[[(4-methylphenyl)-oxomethyl]amino]-2-propenoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (E)-3-(3-bromophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)-2-(p-toluoylamino)acrylic acid isobutyl ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)Br)C(=O)OCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)Br)/C(=O)OCC(C)C

InChI

InChI=1S/C21H22BrNO3/c1-14(2)13-26-21(25)19(12-16-5-4-6-18(22)11-16)23-20(24)17-9-7-15(3)8-10-17/h4-12,14H,13H2,1-3H3,(H,23,24)/b19-12+