diethyl 2-butyl-2-[(2R)-4-[(2-chlorophenyl)amino]-4-oxidanylidene-butan-2-yl]propanedioate

Systemtic Name: diethyl 2-butyl-2-[(2R)-4-[(2-chlorophenyl)amino]-4-oxidanylidene-butan-2-yl]propanedioate Openeye Name: diethyl 2-butyl-2-[(1R)-3-(2-chloroanilino)-1-methyl-3-oxo-propyl]propanedioate CAS Name: 2-butyl-2-[(2R)-4-(2-chloroanilino)-4-oxobutan-2-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-butyl-2-[(2R)-4-(2-chloroanilino)-4-oxobutan-2-yl]propanedioate Traditional Name: 2-butyl-2-[(1R)-3-(2-chloroanilino)-3-keto-1-methyl-propyl]malonic acid diethyl ester Formula: C21H30ClNO5 MolecularWeight: 411.9196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)CC(=O)NC1=CC=CC=C1Cl)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC([C@H](C)CC(=O)NC1=CC=CC=C1Cl)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H30ClNO5/c1-5-8-13-21(19(25)27-6-2,20(26)28-7-3)15(4)14-18(24)23-17-12-10-9-11-16(17)22/h9-12,15H,5-8,13-14H2,1-4H3,(H,23,24)/t15-/m1/s1