2-methoxyethyl 2-[(4-chloranyl-2-fluoranyl-5-prop-2-enoxy-phenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: 2-methoxyethyl 2-[(4-chloranyl-2-fluoranyl-5-prop-2-enoxy-phenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-methoxyethyl 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-(3-pyridylmethyl)carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[4-chloro-2-fluoro-5-prop-2-enoxy-N-(3-pyridinylmethyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-(3-pyridylmethyl)carbamoyl]cyclohexene-1-carboxylic acid 2-methoxyethyl ester Formula: C26H28ClFN2O5 MolecularWeight: 502.962323

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=C(CCCC1)C(=O)N(CC2=CN=CC=C2)C3=CC(=C(C=C3F)Cl)OCC=C

Isomeric SMILES

COCCOC(=O)C1=C(CCCC1)C(=O)N(CC2=CN=CC=C2)C3=CC(=C(C=C3F)Cl)OCC=C

InChI

InChI=1S/C26H28ClFN2O5/c1-3-11-34-24-15-23(22(28)14-21(24)27)30(17-18-7-6-10-29-16-18)25(31)19-8-4-5-9-20(19)26(32)35-13-12-33-2/h3,6-7,10,14-16H,1,4-5,8-9,11-13,17H2,2H3