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

Systemtic Name: ethyl 6-bromanyl-2-[[(4-methoxyphenyl)amino]methyl]-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-[(4-methoxyanilino)methyl]-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-[(4-methoxyanilino)methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-[(4-methoxyanilino)methyl]-1-methylindole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-(p-anisidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4/c1-4-27-20(25)19-14-9-18(24)15(21)10-16(14)23(2)17(19)11-22-12-5-7-13(26-3)8-6-12/h5-10,22,24H,4,11H2,1-3H3