methyl 3-[2-[3-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(2-bromo-5-methoxy-benzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(2-bromo-5-methoxyphenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2-bromo-5-methoxybenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(2-bromo-5-methoxy-benzoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C24H18BrNO4 MolecularWeight: 464.30802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C24H18BrNO4/c1-29-20-11-12-22(25)21(15-20)23(27)26-19-8-4-6-17(14-19)10-9-16-5-3-7-18(13-16)24(28)30-2/h3-8,11-15H,1-2H3,(H,26,27)