4-[(3-chlorophenyl)carbonylamino]-5-[(4,4-diethylcyclohexyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(3-chlorophenyl)carbonylamino]-5-[(4,4-diethylcyclohexyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(3-chlorobenzoyl)amino]-5-[(4,4-diethylcyclohexyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[(3-chlorophenyl)-oxomethyl]amino]-5-[(4,4-diethylcyclohexyl)amino]-5-oxopentanoic acid IUPAC Name: 4-[(3-chlorobenzoyl)amino]-5-[(4,4-diethylcyclohexyl)amino]-5-oxopentanoic acid Traditional Name: 4-[(3-chlorobenzoyl)amino]-5-[(4,4-diethylcyclohexyl)amino]-5-keto-valeric acid Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1)NC(=O)C(CCC(=O)O)NC(=O)C2=CC(=CC=C2)Cl)CC

Isomeric SMILES

CCC1(CCC(CC1)NC(=O)C(CCC(=O)O)NC(=O)C2=CC(=CC=C2)Cl)CC

InChI

InChI=1S/C22H31ClN2O4/c1-3-22(4-2)12-10-17(11-13-22)24-21(29)18(8-9-19(26)27)25-20(28)15-6-5-7-16(23)14-15/h5-7,14,17-18H,3-4,8-13H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)