(phenylmethyl) 3-[(2-bromanyl-4-methoxy-phenyl)carbamoyl]-2,5-dihydropyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(2-bromanyl-4-methoxy-phenyl)carbamoyl]-2,5-dihydropyrrole-1-carboxylate Openeye Name: benzyl 3-[(2-bromo-4-methoxy-phenyl)carbamoyl]-2,5-dihydropyrrole-1-carboxylate CAS Name: 3-[(2-bromo-4-methoxyanilino)-oxomethyl]-2,5-dihydropyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2-bromo-4-methoxyphenyl)carbamoyl]-2,5-dihydropyrrole-1-carboxylate Traditional Name: 3-[(2-bromo-4-methoxy-phenyl)carbamoyl]-3-pyrroline-1-carboxylic acid benzyl ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=CCN(C2)C(=O)OCC3=CC=CC=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=CCN(C2)C(=O)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C20H19BrN2O4/c1-26-16-7-8-18(17(21)11-16)22-19(24)15-9-10-23(12-15)20(25)27-13-14-5-3-2-4-6-14/h2-9,11H,10,12-13H2,1H3,(H,22,24)