(1S,6R)-6-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(4-chloro-2,5-dimethoxyanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H17ClNO5- MolecularWeight: 338.76288

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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)[C@@H]2CC=CC[C@@H]2C(=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)/p-1/t9-,10+/m1/s1