(3-fluoranyl-4-methoxy-phenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]acrylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H19FN2O3 MolecularWeight: 378.396263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)/C=C/C2=CN(C3=CC=CC=C32)CCC#N)F

InChI

InChI=1S/C22H19FN2O3/c1-27-21-9-7-16(13-19(21)23)15-28-22(26)10-8-17-14-25(12-4-11-24)20-6-3-2-5-18(17)20/h2-3,5-10,13-14H,4,12,15H2,1H3/b10-8+