butyl 5-[2-(5-bromanylindol-1-yl)ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: butyl 5-[2-(5-bromanylindol-1-yl)ethanoylamino]-2-chloranyl-benzoate Openeye Name: butyl 5-[[2-(5-bromoindol-1-yl)acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-(5-bromo-1-indolyl)-1-oxoethyl]amino]-2-chlorobenzoic acid butyl ester IUPAC Name: butyl 5-[[2-(5-bromoindol-1-yl)acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-(5-bromoindol-1-yl)acetyl]amino]-2-chloro-benzoic acid butyl ester Formula: C21H20BrClN2O3 MolecularWeight: 463.7521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)NC(=O)CN2C=CC3=C2C=CC(=C3)Br)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)NC(=O)CN2C=CC3=C2C=CC(=C3)Br)Cl

InChI

InChI=1S/C21H20BrClN2O3/c1-2-3-10-28-21(27)17-12-16(5-6-18(17)23)24-20(26)13-25-9-8-14-11-15(22)4-7-19(14)25/h4-9,11-12H,2-3,10,13H2,1H3,(H,24,26)