[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCCC2=CNC3=CC=CC=C32

InChI

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