[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H20BrNO4 MolecularWeight: 454.3132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=CC=C(O3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=C(O3)Br)C

InChI

InChI=1S/C23H20BrNO4/c1-15-12-16(2)14-18(13-15)25-23(27)22(17-6-4-3-5-7-17)29-21(26)11-9-19-8-10-20(24)28-19/h3-14,22H,1-2H3,(H,25,27)/b11-9+