methyl 4-[3-[(E)-2-cyano-3-pyridin-3-yl-prop-2-enoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[(E)-2-cyano-3-pyridin-3-yl-prop-2-enoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[(E)-2-cyano-3-(3-pyridyl)prop-2-enoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-cyano-1-oxo-3-(3-pyridinyl)prop-2-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(E)-2-cyano-3-pyridin-3-ylprop-2-enoyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-2-cyano-3-(3-pyridyl)acryloyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)C(=CC3=CN=CC=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)/C(=C/C3=CN=CC=C3)/C#N

InChI

InChI=1S/C23H19N3O3/c1-15-11-21(22(27)19(13-24)12-17-5-4-10-25-14-17)16(2)26(15)20-8-6-18(7-9-20)23(28)29-3/h4-12,14H,1-3H3/b19-12+