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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C18H23BrN2O5 MolecularWeight: 427.28962

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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)CN(C)CCO

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CN(C)CCO

InChI

InChI=1S/C18H23BrN2O5/c1-5-25-18(24)17-12-8-16(26-11(2)23)13(19)9-14(12)21(4)15(17)10-20(3)6-7-22/h8-9,22H,5-7,10H2,1-4H3