[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1(CCCCC1)C#N)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1(CCCCC1)C#N)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H28ClN3O4/c1-15(2)12-18(25-20(28)16-6-8-17(23)9-7-16)21(29)30-13-19(27)26-22(14-24)10-4-3-5-11-22/h6-9,15,18H,3-5,10-13H2,1-2H3,(H,25,28)(H,26,27)