(3-fluoranyl-4-methoxy-phenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H21FN2O3/c1-13-8-16(14(2)24(13)18-5-6-18)10-17(11-23)21(25)27-12-15-4-7-20(26-3)19(22)9-15/h4,7-10,18H,5-6,12H2,1-3H3/b17-10+