4-[[3-chloranyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-chloranyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-[3-chloro-4-(2-oxo-1-pyrrolidinyl)anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-[3-chloro-4-(2-ketopyrrolidino)anilino]-2,2-diethyl-4-keto-butyric acid Formula: C18H23ClN2O4 MolecularWeight: 366.83922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC(=C(C=C1)N2CCCC2=O)Cl)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC(=C(C=C1)N2CCCC2=O)Cl)C(=O)O

InChI

InChI=1S/C18H23ClN2O4/c1-3-18(4-2,17(24)25)11-15(22)20-12-7-8-14(13(19)10-12)21-9-5-6-16(21)23/h7-8,10H,3-6,9,11H2,1-2H3,(H,20,22)(H,24,25)