1-cyclohexyl-2-[3-[[(3-phenoxyphenyl)amino]methyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-[[(3-phenoxyphenyl)amino]methyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[3-[(3-phenoxyanilino)methyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[(3-phenoxyanilino)methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[3-[(3-phenoxyanilino)methyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[3-[(3-phenoxyanilino)methyl]phenyl]benzimidazole-5-carboxylic acid Formula: C33H31N3O3 MolecularWeight: 517.61754

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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)CNC5=CC(=CC=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)CNC5=CC(=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C33H31N3O3/c37-33(38)25-17-18-31-30(20-25)35-32(36(31)27-12-3-1-4-13-27)24-10-7-9-23(19-24)22-34-26-11-8-16-29(21-26)39-28-14-5-2-6-15-28/h2,5-11,14-21,27,34H,1,3-4,12-13,22H2,(H,37,38)