2-chloranyl-3-[4-(2,2-dimethylbutanoylamino)phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-chloranyl-3-[4-(2,2-dimethylbutanoylamino)phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 2-chloro-3-[4-(2,2-dimethylbutanoylamino)phenyl]-3-oxo-propanoic acid CAS Name: 2-chloro-3-[4-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]-3-oxopropanoic acid IUPAC Name: 2-chloro-3-[4-(2,2-dimethylbutanoylamino)phenyl]-3-oxopropanoic acid Traditional Name: 2-chloro-3-[4-(2,2-dimethylbutanoylamino)phenyl]-3-keto-propionic acid Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClNO4/c1-4-15(2,3)14(21)17-10-7-5-9(6-8-10)12(18)11(16)13(19)20/h5-8,11H,4H2,1-3H3,(H,17,21)(H,19,20)