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

Systemtic Name: 2-methoxyethyl 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-methoxyethyl 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-(3-pyridylmethyl)carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[5-but-3-yn-2-yloxy-4-chloro-2-fluoro-N-(3-pyridinylmethyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-(3-pyridylmethyl)carbamoyl]cyclohexene-1-carboxylic acid 2-methoxyethyl ester Formula: C27H28ClFN2O5 MolecularWeight: 514.973023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#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#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/C27H28ClFN2O5/c1-4-18(2)36-25-15-24(23(29)14-22(25)28)31(17-19-8-7-11-30-16-19)26(32)20-9-5-6-10-21(20)27(33)35-13-12-34-3/h1,7-8,11,14-16,18H,5-6,9-10,12-13,17H2,2-3H3