3-cyano-3-[[2-[(1-methylindol-2-yl)carbonylamino]cyclohexyl]carbonylamino]propanoate

Systemtic Name: 3-cyano-3-[[2-[(1-methylindol-2-yl)carbonylamino]cyclohexyl]carbonylamino]propanoate Openeye Name: 3-cyano-3-[[2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate CAS Name: 3-cyano-3-[[[2-[[(1-methyl-2-indolyl)-oxomethyl]amino]cyclohexyl]-oxomethyl]amino]propanoate IUPAC Name: 3-cyano-3-[[2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate Traditional Name: 3-cyano-3-[[2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]propionate Formula: C21H23N4O4- MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CC(=O)[O-])C#N

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CC(=O)[O-])C#N

InChI

InChI=1S/C21H24N4O4/c1-25-17-9-5-2-6-13(17)10-18(25)21(29)24-16-8-4-3-7-15(16)20(28)23-14(12-22)11-19(26)27/h2,5-6,9-10,14-16H,3-4,7-8,11H2,1H3,(H,23,28)(H,24,29)(H,26,27)/p-1