[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

InChI

InChI=1S/C28H29N5O4/c1-4-5-16-33-22-11-7-6-10-20(22)30-21(28(33)36)14-15-26(35)37-18-25(34)19(17-29)27-31(2)23-12-8-9-13-24(23)32(27)3/h6-13H,4-5,14-16,18H2,1-3H3