dimethyl 5-(4-chloranylbutanoylamino)-2,4-bis(oxidanylidene)-6-phenyl-cyclohexane-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(4-chloranylbutanoylamino)-2,4-bis(oxidanylidene)-6-phenyl-cyclohexane-1,3-dicarboxylate Openeye Name: dimethyl 5-(4-chlorobutanoylamino)-2,4-dioxo-6-phenyl-cyclohexane-1,3-dicarboxylate CAS Name: 5-[(4-chloro-1-oxobutyl)amino]-2,4-dioxo-6-phenylcyclohexane-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-chlorobutanoylamino)-2,4-dioxo-6-phenylcyclohexane-1,3-dicarboxylate Traditional Name: 5-(4-chlorobutanoylamino)-2,4-diketo-6-phenyl-cyclohexane-1,3-dicarboxylic acid dimethyl ester Formula: C20H22ClNO7 MolecularWeight: 423.84418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(=O)C(C1=O)C(=O)OC)NC(=O)CCCCl)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1C(C(C(=O)C(C1=O)C(=O)OC)NC(=O)CCCCl)C2=CC=CC=C2

InChI

InChI=1S/C20H22ClNO7/c1-28-19(26)14-13(11-7-4-3-5-8-11)16(22-12(23)9-6-10-21)18(25)15(17(14)24)20(27)29-2/h3-5,7-8,13-16H,6,9-10H2,1-2H3,(H,22,23)