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

Systemtic Name: 2-methoxyethyl 2-[(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-methoxyethyl 2-[(4-chloro-2-fluoro-5-isopropoxy-phenyl)-(3-pyridylmethyl)carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[4-chloro-2-fluoro-5-propan-2-yloxy-N-(3-pyridinylmethyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[(4-chloro-2-fluoro-5-isopropoxy-phenyl)-(3-pyridylmethyl)carbamoyl]cyclohexene-1-carboxylic acid 2-methoxyethyl ester Formula: C26H30ClFN2O5 MolecularWeight: 504.978203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C(=C1)N(CC2=CN=CC=C2)C(=O)C3=C(CCCC3)C(=O)OCCOC)F)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C(=C1)N(CC2=CN=CC=C2)C(=O)C3=C(CCCC3)C(=O)OCCOC)F)Cl

InChI

InChI=1S/C26H30ClFN2O5/c1-17(2)35-24-14-23(22(28)13-21(24)27)30(16-18-7-6-10-29-15-18)25(31)19-8-4-5-9-20(19)26(32)34-12-11-33-3/h6-7,10,13-15,17H,4-5,8-9,11-12,16H2,1-3H3