pyridin-2-ylmethyl (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: pyridin-2-ylmethyl (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: 2-pyridylmethyl (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid 2-pyridylmethyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(\C#N)/C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C23H21N3O3/c1-16-12-18(17(2)26(16)21-7-9-22(28-3)10-8-21)13-19(14-24)23(27)29-15-20-6-4-5-11-25-20/h4-13H,15H2,1-3H3/b19-13+