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

Systemtic Name: ethyl 5-acetyloxy-2-[[(3-aminocarbonylphenyl)amino]methyl]-6-bromanyl-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(3-carbamoylanilino)methyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[(3-carbamoylanilino)methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(3-carbamoylanilino)methyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[(3-carbamoylanilino)methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H22BrN3O5 MolecularWeight: 488.33118

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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=CC(=C3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O5/c1-4-30-22(29)20-15-9-19(31-12(2)27)16(23)10-17(15)26(3)18(20)11-25-14-7-5-6-13(8-14)21(24)28/h5-10,25H,4,11H2,1-3H3,(H2,24,28)