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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(2-diethylaminoethylamino)methyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(2-diethylaminoethylamino)methyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[(2-diethylaminoethylamino)methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(2-diethylaminoethylamino)methyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[(2-diethylaminoethylamino)methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H30BrN3O4 MolecularWeight: 468.3846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNCC1=C(C2=CC(=C(C=C2N1C)Br)OC(=O)C)C(=O)OCC

Isomeric SMILES

CCN(CC)CCNCC1=C(C2=CC(=C(C=C2N1C)Br)OC(=O)C)C(=O)OCC

InChI

InChI=1S/C21H30BrN3O4/c1-6-25(7-2)10-9-23-13-18-20(21(27)28-8-3)15-11-19(29-14(4)26)16(22)12-17(15)24(18)5/h11-12,23H,6-10,13H2,1-5H3