ethyl 5-acetyloxy-6-bromanyl-2-[[(4-methoxyphenyl)amino]methyl]-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[[(4-methoxyphenyl)amino]methyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(4-methoxyanilino)methyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[(4-methoxyanilino)methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(4-methoxyanilino)methyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-1-methyl-2-(p-anisidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CNC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CNC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23BrN2O5/c1-5-29-22(27)21-16-10-20(30-13(2)26)17(23)11-18(16)25(3)19(21)12-24-14-6-8-15(28-4)9-7-14/h6-11,24H,5,12H2,1-4H3