[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate Traditional Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC3=CC(=CC(=C3N2)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC3=CC(=CC(=C3N2)OC)OC

InChI

InChI=1S/C20H19BrN2O5/c1-11-6-13(21)4-5-15(11)22-18(24)10-28-20(25)16-8-12-7-14(26-2)9-17(27-3)19(12)23-16/h4-9,23H,10H2,1-3H3,(H,22,24)