butyl 4-[2-(5-bromanyl-3-methanoyl-indol-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(5-bromanyl-3-methanoyl-indol-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(5-bromo-3-formyl-indol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(5-bromo-3-formyl-1-indolyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-bromo-3-formylindol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-bromo-3-formyl-indol-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O4/c1-2-3-10-29-22(28)15-4-7-18(8-5-15)24-21(27)13-25-12-16(14-26)19-11-17(23)6-9-20(19)25/h4-9,11-12,14H,2-3,10,13H2,1H3,(H,24,27)