2-methoxyethyl 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: 2-methoxyethyl 2-[[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-methoxyethyl 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxo-ethoxy)phenyl]-(3-pyridylmethyl)carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)-N-(3-pyridinylmethyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[[4-chloro-2-fluoro-5-(2-keto-2-methoxy-ethoxy)phenyl]-(3-pyridylmethyl)carbamoyl]cyclohexene-1-carboxylic acid 2-methoxyethyl ester Formula: C26H28ClFN2O7 MolecularWeight: 534.961123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClFN2O7/c1-34-10-11-36-26(33)19-8-4-3-7-18(19)25(32)30(15-17-6-5-9-29-14-17)22-13-23(20(27)12-21(22)28)37-16-24(31)35-2/h5-6,9,12-14H,3-4,7-8,10-11,15-16H2,1-2H3