methyl 2-[2-fluoranyl-3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]pyridin-4-yl]-2-phenylmethoxy-butanoate

Systemtic Name: methyl 2-[2-fluoranyl-3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]pyridin-4-yl]-2-phenylmethoxy-butanoate Openeye Name: methyl 2-benzyloxy-2-[2-fluoro-3-[(E)-3-methoxy-3-oxo-prop-1-enyl]-4-pyridyl]butanoate CAS Name: 2-[2-fluoro-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-4-pyridinyl]-2-phenylmethoxybutanoic acid methyl ester IUPAC Name: methyl 2-[2-fluoro-3-[(E)-3-methoxy-3-oxoprop-1-enyl]pyridin-4-yl]-2-phenylmethoxybutanoate Traditional Name: 2-benzoxy-2-[2-fluoro-3-[(E)-3-keto-3-methoxy-prop-1-enyl]-4-pyridyl]butyric acid methyl ester Formula: C21H22FNO5 MolecularWeight: 387.401483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=NC=C1)F)C=CC(=O)OC)(C(=O)OC)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C1=C(C(=NC=C1)F)/C=C/C(=O)OC)(C(=O)OC)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22FNO5/c1-4-21(20(25)27-3,28-14-15-8-6-5-7-9-15)17-12-13-23-19(22)16(17)10-11-18(24)26-2/h5-13H,4,14H2,1-3H3/b11-10+