1-cyclohexyl-2-[3-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[3-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[[3-(1-imidazolyl)propylamino]-oxomethyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[3-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[3-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NCCCN5C=CN=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NCCCN5C=CN=C5

InChI

InChI=1S/C27H29N5O3/c33-26(29-12-5-14-31-15-13-28-18-31)20-7-4-6-19(16-20)25-30-23-17-21(27(34)35)10-11-24(23)32(25)22-8-2-1-3-9-22/h4,6-7,10-11,13,15-18,22H,1-3,5,8-9,12,14H2,(H,29,33)(H,34,35)