methyl 4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentanoate

Systemtic Name: methyl 4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentanoate Openeye Name: methyl 4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentanoate CAS Name: 4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentanoic acid methyl ester IUPAC Name: methyl 4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentanoate Traditional Name: 4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)valeric acid methyl ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC1=CC2=C(N1)C=NC=C2)(C(=O)OC)O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)(CC(CC1=CC2=C(N1)C=NC=C2)(C(=O)OC)O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H25FN2O4/c1-21(2,17-10-15(23)5-6-19(17)28-3)13-22(27,20(26)29-4)11-16-9-14-7-8-24-12-18(14)25-16/h5-10,12,25,27H,11,13H2,1-4H3