[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyl-1H-indole-2-carboxylate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyl-1H-indole-2-carboxylate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 3-bromo-1H-indole-2-carboxylate CAS Name: 3-bromo-1H-indole-2-carboxylic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 3-bromo-1H-indole-2-carboxylate Traditional Name: 3-bromo-1H-indole-2-carboxylic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=C(C3=CC=CC=C3N2)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=C(C3=CC=CC=C3N2)Br

InChI

InChI=1S/C20H19BrN2O4/c1-13-5-4-6-14(11-13)26-10-9-22-17(24)12-27-20(25)19-18(21)15-7-2-3-8-16(15)23-19/h2-8,11,23H,9-10,12H2,1H3,(H,22,24)