[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32)Br

InChI

InChI=1S/C21H21BrN2O3/c1-14-9-10-19(17(22)11-14)24-20(25)13-27-21(26)8-4-5-15-12-23-18-7-3-2-6-16(15)18/h2-3,6-7,9-12,23H,4-5,8,13H2,1H3,(H,24,25)