methyl 2-[2-[3-(6-bromanylindol-1-yl)propanoylamino]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[3-(6-bromanylindol-1-yl)propanoylamino]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[3-(6-bromoindol-1-yl)propanoylamino]acetyl]amino]acetate CAS Name: 2-[[2-[[3-(6-bromo-1-indolyl)-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(6-bromoindol-1-yl)propanoylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[3-(6-bromoindol-1-yl)propanoylamino]acetyl]amino]acetic acid methyl ester Formula: C16H18BrN3O4 MolecularWeight: 396.23582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CNC(=O)CCN1C=CC2=C1C=C(C=C2)Br

Isomeric SMILES

COC(=O)CNC(=O)CNC(=O)CCN1C=CC2=C1C=C(C=C2)Br

InChI

InChI=1S/C16H18BrN3O4/c1-24-16(23)10-19-15(22)9-18-14(21)5-7-20-6-4-11-2-3-12(17)8-13(11)20/h2-4,6,8H,5,7,9-10H2,1H3,(H,18,21)(H,19,22)