[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [4-[(2,4-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] ester Formula: C25H22BrNO4 MolecularWeight: 480.35048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C=CC3=C(C=CC(=C3)Br)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)/C=C/C3=C(C=CC(=C3)Br)OC)C

InChI

InChI=1S/C25H22BrNO4/c1-16-4-11-22(17(2)14-16)27-25(29)18-5-9-21(10-6-18)31-24(28)13-7-19-15-20(26)8-12-23(19)30-3/h4-15H,1-3H3,(H,27,29)/b13-7+