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

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl (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 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-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCCCN2C3=CC=CC=C3NC2=O)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCCCN2C3=CC=CC=C3NC2=O)C

InChI

InChI=1S/C23H26N4O3/c1-4-10-26-16(2)13-18(17(26)3)14-19(15-24)22(28)30-12-7-11-27-21-9-6-5-8-20(21)25-23(27)29/h5-6,8-9,13-14H,4,7,10-12H2,1-3H3,(H,25,29)/b19-14+