1-cyclohexyl-2-[3-[[4-oxidanylbutyl-(phenylmethyl)amino]methyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-[[4-oxidanylbutyl-(phenylmethyl)amino]methyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[[benzyl(4-hydroxybutyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[[4-hydroxybutyl-(phenylmethyl)amino]methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[[benzyl(4-hydroxybutyl)amino]methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[[benzyl(4-hydroxybutyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C32H37N3O3 MolecularWeight: 511.65448

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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)CN(CCCCO)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)CN(CCCCO)CC5=CC=CC=C5

InChI

InChI=1S/C32H37N3O3/c36-19-8-7-18-34(22-24-10-3-1-4-11-24)23-25-12-9-13-26(20-25)31-33-29-21-27(32(37)38)16-17-30(29)35(31)28-14-5-2-6-15-28/h1,3-4,9-13,16-17,20-21,28,36H,2,5-8,14-15,18-19,22-23H2,(H,37,38)