methyl 3-[2-[1,3-benzodioxol-5-yl(ethyl)amino]ethanoylamino]-5-bromanyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[1,3-benzodioxol-5-yl(ethyl)amino]ethanoylamino]-5-bromanyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]acetyl]amino]-5-bromo-1H-indole-2-carboxylate CAS Name: 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]-1-oxoethyl]amino]-5-bromo-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]acetyl]amino]-5-bromo-1H-indole-2-carboxylate Traditional Name: 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]acetyl]amino]-5-bromo-1H-indole-2-carboxylic acid methyl ester Formula: C21H20BrN3O5 MolecularWeight: 474.3046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20BrN3O5/c1-3-25(13-5-7-16-17(9-13)30-11-29-16)10-18(26)24-19-14-8-12(22)4-6-15(14)23-20(19)21(27)28-2/h4-9,23H,3,10-11H2,1-2H3,(H,24,26)