ethyl 5-[(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-[2-(2-pyridylmethoxy)phenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-1-oxo-3-[2-(2-pyridinylmethoxy)phenyl]prop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-[2-(2-pyridylmethoxy)phenyl]acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CC=CC=C2OCC3=CC=CC=N3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CC=CC=C2OCC3=CC=CC=N3)/C#N)C

InChI

InChI=1S/C25H23N3O4/c1-4-31-25(30)22-16(2)23(28-17(22)3)24(29)19(14-26)13-18-9-5-6-11-21(18)32-15-20-10-7-8-12-27-20/h5-13,28H,4,15H2,1-3H3/b19-13+