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

Systemtic Name: methyl 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]-4-fluoro-benzoate CAS Name: 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]amino]-4-fluorobenzoate Traditional Name: 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=C(C=CC(=C2)C(=O)OC)F)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)C(=O)OC)F)C

InChI

InChI=1S/C21H22FN3O3/c1-5-8-25-13(2)9-16(14(25)3)10-17(12-23)20(26)24-19-11-15(21(27)28-4)6-7-18(19)22/h6-7,9-11H,5,8H2,1-4H3,(H,24,26)/b17-10+