4-[[butyl-(3-butyl-6,6-dimethyl-2-phenyl-5,7-dihydro-4H-benzimidazol-4-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[butyl-(3-butyl-6,6-dimethyl-2-phenyl-5,7-dihydro-4H-benzimidazol-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[butyl-(3-butyl-6,6-dimethyl-2-phenyl-5,7-dihydro-4H-benzimidazol-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[butyl-(3-butyl-6,6-dimethyl-2-phenyl-5,7-dihydro-4H-benzimidazol-4-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[butyl-(3-butyl-6,6-dimethyl-2-phenyl-5,7-dihydro-4H-benzimidazol-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[butyl-(3-butyl-6,6-dimethyl-2-phenyl-5,7-dihydro-4H-benzimidazol-4-yl)amino]methyl]benzoic acid Formula: C31H41N3O2 MolecularWeight: 487.67614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(CC(CC2N(CCCC)CC3=CC=C(C=C3)C(=O)O)(C)C)N=C1C4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(CC(CC2N(CCCC)CC3=CC=C(C=C3)C(=O)O)(C)C)N=C1C4=CC=CC=C4

InChI

InChI=1S/C31H41N3O2/c1-5-7-18-33(22-23-14-16-25(17-15-23)30(35)36)27-21-31(3,4)20-26-28(27)34(19-8-6-2)29(32-26)24-12-10-9-11-13-24/h9-17,27H,5-8,18-22H2,1-4H3,(H,35,36)