3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C24H28N4O3/c1-16(2)15-28-17(3)12-19(18(28)4)13-20(14-25)23(29)31-11-7-10-27-22-9-6-5-8-21(22)26-24(27)30/h5-6,8-9,12-13,16H,7,10-11,15H2,1-4H3,(H,26,30)/b20-13+