[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate

Systemtic Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate Openeye Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-(2-bromo-4,5-dimethoxy-phenyl)propanoate CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid [4-[(2,5-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-(2-bromo-4,5-dimethoxyphenyl)propanoate Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)propionic acid [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] ester Formula: C26H26BrNO5 MolecularWeight: 512.39234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)OC(=O)CCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)OC(=O)CCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C26H26BrNO5/c1-16-5-6-17(2)22(13-16)28-26(30)18-7-10-20(11-8-18)33-25(29)12-9-19-14-23(31-3)24(32-4)15-21(19)27/h5-8,10-11,13-15H,9,12H2,1-4H3,(H,28,30)