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

Systemtic Name: propyl 5-[2-(5-bromanyl-3-methanoyl-indol-1-yl)ethanoylamino]-2-chloranyl-benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H18BrClN2O4 MolecularWeight: 477.73562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrClN2O4/c1-2-7-29-21(28)17-9-15(4-5-18(17)23)24-20(27)11-25-10-13(12-26)16-8-14(22)3-6-19(16)25/h3-6,8-10,12H,2,7,11H2,1H3,(H,24,27)