2-[4-[[2-butyl-5-cyano-6-methyl-4,7-bis(oxidanylidene)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-5-cyano-6-methyl-4,7-bis(oxidanylidene)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-cyano-6-methyl-4,7-dioxo-benzimidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-cyano-6-methyl-4,7-dioxo-1-benzimidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-cyano-6-methyl-4,7-dioxobenzimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-cyano-4,7-diketo-6-methyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)C(=C(C2=O)C#N)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)C(=C(C2=O)C#N)C

InChI

InChI=1S/C27H23N3O4/c1-3-4-9-22-29-23-24(25(31)16(2)21(14-28)26(23)32)30(22)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)27(33)34/h5-8,10-13H,3-4,9,15H2,1-2H3,(H,33,34)