[1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-bromanyl-1H-indole-2-carboxylate

Systemtic Name: [1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-bromanyl-1H-indole-2-carboxylate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3-bromo-1H-indole-2-carboxylate CAS Name: 3-bromo-1H-indole-2-carboxylic acid [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate Traditional Name: 3-bromo-1H-indole-2-carboxylic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl] ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=C(C3=CC=CC=C3N2)Br

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=C(C3=CC=CC=C3N2)Br

InChI

InChI=1S/C21H21BrN2O4/c1-13(20(25)23-12-11-14-7-9-15(27-2)10-8-14)28-21(26)19-18(22)16-5-3-4-6-17(16)24-19/h3-10,13,24H,11-12H2,1-2H3,(H,23,25)