6-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(4-chloro-2,5-dimethoxyanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H18ClNO5 MolecularWeight: 339.77082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CC=CCC2C(=O)O)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CC=CCC2C(=O)O)OC)Cl

InChI

InChI=1S/C16H18ClNO5/c1-22-13-8-12(14(23-2)7-11(13)17)18-15(19)9-5-3-4-6-10(9)16(20)21/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)(H,20,21)