ethyl 4-[(5-bromanylpyridin-3-yl)carbonylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate

Systemtic Name: ethyl 4-[(5-bromanylpyridin-3-yl)carbonylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 4-[(5-bromopyridine-3-carbonyl)amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate CAS Name: 4-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-5-methoxy-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromopyridine-3-carbonyl)amino]-5-methoxy-1,2-dimethylindole-3-carboxylate Traditional Name: 4-[(5-bromonicotinoyl)amino]-5-methoxy-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C3=CC(=CN=C3)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C3=CC(=CN=C3)Br)C)C

InChI

InChI=1S/C20H20BrN3O4/c1-5-28-20(26)16-11(2)24(3)14-6-7-15(27-4)18(17(14)16)23-19(25)12-8-13(21)10-22-9-12/h6-10H,5H2,1-4H3,(H,23,25)