ethyl 6-bromanyl-1-methyl-2-(methylaminomethyl)-5-oxidanyl-indole-3-carboxylate; methanoic acid

Systemtic Name: ethyl 6-bromanyl-1-methyl-2-(methylaminomethyl)-5-oxidanyl-indole-3-carboxylate; methanoic acid Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(methylaminomethyl)indole-3-carboxylate; formic acid CAS Name: 6-bromo-5-hydroxy-1-methyl-2-(methylaminomethyl)-3-indolecarboxylic acid ethyl ester; formic acid IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(methylaminomethyl)indole-3-carboxylate; formic acid Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-(methylaminomethyl)indole-3-carboxylic acid ethyl ester; formic acid Formula: C16H21BrN2O7 MolecularWeight: 433.25114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CNC.C(=O)O.C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CNC.C(=O)O.C(=O)O

InChI

InChI=1S/C14H17BrN2O3.2CH2O2/c1-4-20-14(19)13-8-5-12(18)9(15)6-10(8)17(3)11(13)7-16-2;2*2-1-3/h5-6,16,18H,4,7H2,1-3H3;2*1H,(H,2,3)