4-[[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-6-prop-2-enyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-6-prop-2-enyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-allyl-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-6-prop-2-enylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-6-prop-2-enylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-allyl-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid Formula: C30H27N3O4 MolecularWeight: 493.55308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CC=C)C=C(C#N)C3=NC4=C(N3)C=C(C=C4)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CC=C)C=C(C#N)C3=NC4=C(N3)C=C(C=C4)C

InChI

InChI=1S/C30H27N3O4/c1-4-6-23-14-21(15-24(17-31)29-32-25-12-7-19(3)13-26(25)33-29)16-27(36-5-2)28(23)37-18-20-8-10-22(11-9-20)30(34)35/h4,7-16H,1,5-6,18H2,2-3H3,(H,32,33)(H,34,35)