2-[[2-chloranylethanoyl-(4-cyclohexylphenyl)amino]methyl]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[[2-chloranylethanoyl-(4-cyclohexylphenyl)amino]methyl]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(N-(2-chloroacetyl)-4-cyclohexyl-anilino)methyl]-3,3-dimethyl-butanoic acid CAS Name: 2-[(N-(2-chloro-1-oxoethyl)-4-cyclohexylanilino)methyl]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(N-(2-chloroacetyl)-4-cyclohexylanilino)methyl]-3,3-dimethylbutanoic acid Traditional Name: 2-[(N-(2-chloroacetyl)-4-cyclohexyl-anilino)methyl]-3,3-dimethyl-butyric acid Formula: C21H30ClNO3 MolecularWeight: 379.9208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN(C1=CC=C(C=C1)C2CCCCC2)C(=O)CCl)C(=O)O

Isomeric SMILES

CC(C)(C)C(CN(C1=CC=C(C=C1)C2CCCCC2)C(=O)CCl)C(=O)O

InChI

InChI=1S/C21H30ClNO3/c1-21(2,3)18(20(25)26)14-23(19(24)13-22)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,25,26)