butyl 5-[2-(5-bromanyl-3-methanoyl-indol-1-yl)ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: butyl 5-[2-(5-bromanyl-3-methanoyl-indol-1-yl)ethanoylamino]-2-chloranyl-benzoate Openeye Name: butyl 5-[[2-(5-bromo-3-formyl-indol-1-yl)acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-(5-bromo-3-formyl-1-indolyl)-1-oxoethyl]amino]-2-chlorobenzoic acid butyl ester IUPAC Name: butyl 5-[[2-(5-bromo-3-formylindol-1-yl)acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-(5-bromo-3-formyl-indol-1-yl)acetyl]amino]-2-chloro-benzoic acid butyl ester Formula: C22H20BrClN2O4 MolecularWeight: 491.7622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrClN2O4/c1-2-3-8-30-22(29)18-10-16(5-6-19(18)24)25-21(28)12-26-11-14(13-27)17-9-15(23)4-7-20(17)26/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,25,28)