[4-(4-fluorophenyl)-4-oxidanylidene-butyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C23H25FN2O3 MolecularWeight: 396.454603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O3/c1-4-11-26-16(2)13-19(17(26)3)14-20(15-25)23(28)29-12-5-6-22(27)18-7-9-21(24)10-8-18/h7-10,13-14H,4-6,11-12H2,1-3H3/b20-14+