4-cyano-4-[[2-[(1-methylindol-2-yl)carbonylamino]cyclohexyl]carbonylamino]butanoate

Systemtic Name: 4-cyano-4-[[2-[(1-methylindol-2-yl)carbonylamino]cyclohexyl]carbonylamino]butanoate Openeye Name: 4-cyano-4-[[2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]butanoate CAS Name: 4-cyano-4-[[[2-[[(1-methyl-2-indolyl)-oxomethyl]amino]cyclohexyl]-oxomethyl]amino]butanoate IUPAC Name: 4-cyano-4-[[2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]butanoate Traditional Name: 4-cyano-4-[[2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]butyrate Formula: C22H25N4O4- MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-26-18-9-5-2-6-14(18)12-19(26)22(30)25-17-8-4-3-7-16(17)21(29)24-15(13-23)10-11-20(27)28/h2,5-6,9,12,15-17H,3-4,7-8,10-11H2,1H3,(H,24,29)(H,25,30)(H,27,28)/p-1