1-[[3-(4-chloranylphenoxy)-3-methyl-butanoyl]amino]cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-[[3-(4-chloranylphenoxy)-3-methyl-butanoyl]amino]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-[[3-(4-chlorophenoxy)-3-methyl-butanoyl]amino]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-[[3-(4-chlorophenoxy)-3-methyl-1-oxobutyl]amino]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-[[3-(4-chlorophenoxy)-3-methylbutanoyl]amino]cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-[[3-(4-chlorophenoxy)-3-methyl-butanoyl]amino]cyclohexa-2,4-diene-1-carboxylic acid Formula: C18H20ClNO4 MolecularWeight: 349.8087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1(CC=CC=C1)C(=O)O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(CC(=O)NC1(CC=CC=C1)C(=O)O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClNO4/c1-17(2,24-14-8-6-13(19)7-9-14)12-15(21)20-18(16(22)23)10-4-3-5-11-18/h3-10H,11-12H2,1-2H3,(H,20,21)(H,22,23)