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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C23H30ClN3O4 MolecularWeight: 447.955

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)N(C)C1(CCCCC1)C#N)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)N(C)C1(CCCCC1)C#N)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H30ClN3O4/c1-16(2)13-19(26-21(29)17-7-9-18(24)10-8-17)22(30)31-14-20(28)27(3)23(15-25)11-5-4-6-12-23/h7-10,16,19H,4-6,11-14H2,1-3H3,(H,26,29)