dibenzofuran-2-yl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: dibenzofuran-2-yl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: dibenzofuran-2-yl (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 2-dibenzofuranyl ester IUPAC Name: dibenzofuran-2-yl (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 dibenzofuran-2-yl ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OC2=CC3=C(C=C2)OC4=CC=CC=C43)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OC2=CC3=C(C=C2)OC4=CC=CC=C43)C

InChI

InChI=1S/C25H22N2O3/c1-4-11-27-16(2)12-18(17(27)3)13-19(15-26)25(28)29-20-9-10-24-22(14-20)21-7-5-6-8-23(21)30-24/h5-10,12-14H,4,11H2,1-3H3/b19-13+