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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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