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

Systemtic Name: propyl 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C27H28ClFN2O4 MolecularWeight: 498.973623

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(CCCC1)C(=O)N(CC2=CN=CC=C2)C3=CC(=C(C=C3F)Cl)OC(C)C#C

Isomeric SMILES

CCCOC(=O)C1=C(CCCC1)C(=O)N(CC2=CN=CC=C2)C3=CC(=C(C=C3F)Cl)OC(C)C#C

InChI

InChI=1S/C27H28ClFN2O4/c1-4-13-34-27(33)21-11-7-6-10-20(21)26(32)31(17-19-9-8-12-30-16-19)24-15-25(35-18(3)5-2)22(28)14-23(24)29/h2,8-9,12,14-16,18H,4,6-7,10-11,13,17H2,1,3H3