methyl 5-bromanyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCCC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCCC4=CC=CC=C43

InChI

InChI=1S/C21H20BrN3O3/c1-28-21(27)20-19(15-11-14(22)8-9-16(15)23-20)24-18(26)12-25-10-4-6-13-5-2-3-7-17(13)25/h2-3,5,7-9,11,23H,4,6,10,12H2,1H3,(H,24,26)