1-cyclohexyl-2-[4-(3-prop-2-ynoxyphenoxy)phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[4-(3-prop-2-ynoxyphenoxy)phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[4-(3-prop-2-ynoxyphenoxy)phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[4-(3-prop-2-ynoxyphenoxy)phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[4-(3-prop-2-ynoxyphenoxy)phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[4-(3-propargyloxyphenoxy)phenyl]benzimidazole-5-carboxylic acid Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC(=C1)OC2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

Isomeric SMILES

C#CCOC1=CC=CC(=C1)OC2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

InChI

InChI=1S/C29H26N2O4/c1-2-17-34-24-9-6-10-25(19-24)35-23-14-11-20(12-15-23)28-30-26-18-21(29(32)33)13-16-27(26)31(28)22-7-4-3-5-8-22/h1,6,9-16,18-19,22H,3-5,7-8,17H2,(H,32,33)