ethyl 3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-(4-methoxyphenyl)-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-(4-methoxyphenyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-3-[(5-bromopyridine-3-carbonyl)amino]-4-(4-methoxyphenyl)pyrrole-2-carboxylate CAS Name: 3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-4-(4-methoxyphenyl)-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[(5-bromopyridine-3-carbonyl)amino]-4-(4-methoxyphenyl)pyrrole-2-carboxylate Traditional Name: 1-benzyl-3-[(5-bromonicotinoyl)amino]-4-(4-methoxyphenyl)pyrrole-2-carboxylic acid ethyl ester Formula: C27H24BrN3O4 MolecularWeight: 534.40116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC=C(C=C3)OC)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC=C(C=C3)OC)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C27H24BrN3O4/c1-3-35-27(33)25-24(30-26(32)20-13-21(28)15-29-14-20)23(19-9-11-22(34-2)12-10-19)17-31(25)16-18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,30,32)