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

Systemtic Name: butyl 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C28H30ClFN2O4 MolecularWeight: 513.000203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClFN2O4/c1-4-6-14-35-28(34)22-12-8-7-11-21(22)27(33)32(18-20-10-9-13-31-17-20)25-16-26(36-19(3)5-2)23(29)15-24(25)30/h2,9-10,13,15-17,19H,4,6-8,11-12,14,18H2,1,3H3