ethyl 5-[2-(1,3-benzoxazol-2-yl)-1-oxidanyl-ethyl]-4-(4-fluorophenyl)-6-methoxy-2-propan-2-yl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-[2-(1,3-benzoxazol-2-yl)-1-oxidanyl-ethyl]-4-(4-fluorophenyl)-6-methoxy-2-propan-2-yl-pyridine-3-carboxylate Openeye Name: ethyl 5-[2-(1,3-benzoxazol-2-yl)-1-hydroxy-ethyl]-4-(4-fluorophenyl)-2-isopropyl-6-methoxy-pyridine-3-carboxylate CAS Name: 5-[2-(1,3-benzoxazol-2-yl)-1-hydroxyethyl]-4-(4-fluorophenyl)-6-methoxy-2-propan-2-yl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(1,3-benzoxazol-2-yl)-1-hydroxyethyl]-4-(4-fluorophenyl)-6-methoxy-2-propan-2-ylpyridine-3-carboxylate Traditional Name: 5-[2-(1,3-benzoxazol-2-yl)-1-hydroxy-ethyl]-4-(4-fluorophenyl)-2-isopropyl-6-methoxy-nicotinic acid ethyl ester Formula: C27H27FN2O5 MolecularWeight: 478.512083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1C(C)C)OC)C(CC2=NC3=CC=CC=C3O2)O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1C(C)C)OC)C(CC2=NC3=CC=CC=C3O2)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H27FN2O5/c1-5-34-27(32)24-22(16-10-12-17(28)13-11-16)23(26(33-4)30-25(24)15(2)3)19(31)14-21-29-18-8-6-7-9-20(18)35-21/h6-13,15,19,31H,5,14H2,1-4H3