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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CC(=CC=C1)Br)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO3/c1-3-4-12-26-21(25)19(14-16-6-5-7-18(22)13-16)23-20(24)17-10-8-15(2)9-11-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,24)/b19-14+