methyl 4-[2-[2-(5-bromanyl-2-methyl-1H-indol-3-yl)ethanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-(5-bromanyl-2-methyl-1H-indol-3-yl)ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(5-bromo-2-methyl-1H-indol-3-yl)acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-(5-bromo-2-methyl-1H-indol-3-yl)-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(5-bromo-2-methyl-1H-indol-3-yl)acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(5-bromo-2-methyl-1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid methyl ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)Br)CC(=O)NCCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)Br)CC(=O)NCCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21BrN2O3/c1-13-17(18-11-16(22)7-8-19(18)24-13)12-20(25)23-10-9-14-3-5-15(6-4-14)21(26)27-2/h3-8,11,24H,9-10,12H2,1-2H3,(H,23,25)