methyl 4-[3-(1,3-benzoxazol-6-yl)-1-fluoranyl-2-oxidanylidene-3-pyridin-3-yl-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[3-(1,3-benzoxazol-6-yl)-1-fluoranyl-2-oxidanylidene-3-pyridin-3-yl-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-2-oxo-3-(3-pyridyl)-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylate CAS Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-2-oxo-3-(3-pyridinyl)-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-2-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylate Traditional Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-2-keto-3-(3-pyridyl)-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid methyl ester Formula: C27H30FN3O5 MolecularWeight: 495.542603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)OC(C(=O)C(C2=CC3=C(C=C2)N=CO3)C4=CN=CC=C4)(N5CCCC5)F

Isomeric SMILES

COC(=O)C1CCC(CC1)OC(C(=O)C(C2=CC3=C(C=C2)N=CO3)C4=CN=CC=C4)(N5CCCC5)F

InChI

InChI=1S/C27H30FN3O5/c1-34-26(33)18-6-9-21(10-7-18)36-27(28,31-13-2-3-14-31)25(32)24(20-5-4-12-29-16-20)19-8-11-22-23(15-19)35-17-30-22/h4-5,8,11-12,15-18,21,24H,2-3,6-7,9-10,13-14H2,1H3