methyl 1-[[2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoyl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-[(2-chlorobenzoyl)amino]-3-methyl-butanoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-[(2-chlorobenzoyl)amino]-3-methyl-butanoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H27ClN2O4 MolecularWeight: 394.89238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CCCCC1)C(=O)OC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)C(C(=O)NC1(CCCCC1)C(=O)OC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H27ClN2O4/c1-13(2)16(22-17(24)14-9-5-6-10-15(14)21)18(25)23-20(19(26)27-3)11-7-4-8-12-20/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3,(H,22,24)(H,23,25)