4-[[1-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]naphthalen-2-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[1-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]naphthalen-2-yl]oxymethyl]benzoic acid Openeye Name: 4-[[1-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-naphthyl]oxymethyl]benzoic acid CAS Name: 4-[[1-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-naphthalenyl]oxymethyl]benzoic acid IUPAC Name: 4-[[1-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]naphthalen-2-yl]oxymethyl]benzoic acid Traditional Name: 4-[[1-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-naphthoxy]methyl]benzoic acid Formula: C29H21N3O3 MolecularWeight: 459.49534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(C=CC4=CC=CC=C43)OCC5=CC=C(C=C5)C(=O)O)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(C=CC4=CC=CC=C43)OCC5=CC=C(C=C5)C(=O)O)C#N

InChI

InChI=1S/C29H21N3O3/c1-18-6-12-25-26(14-18)32-28(31-25)22(16-30)15-24-23-5-3-2-4-20(23)11-13-27(24)35-17-19-7-9-21(10-8-19)29(33)34/h2-15H,17H2,1H3,(H,31,32)(H,33,34)