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

Systemtic Name: 2-ethoxyethyl 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-ethoxyethyl 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-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 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-ethoxyethyl ester Formula: C28H30ClFN2O5 MolecularWeight: 528.999603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClFN2O5/c1-4-19(3)37-26-16-25(24(30)15-23(26)29)32(18-20-9-8-12-31-17-20)27(33)21-10-6-7-11-22(21)28(34)36-14-13-35-5-2/h1,8-9,12,15-17,19H,5-7,10-11,13-14,18H2,2-3H3