2-(4-tert-butylphenyl)-1-(3-phenylmethoxyphenyl)guanidine; methanesulfonic acid

Systemtic Name: 2-(4-tert-butylphenyl)-1-(3-phenylmethoxyphenyl)guanidine; methanesulfonic acid Openeye Name: 1-(3-benzyloxyphenyl)-2-(4-tert-butylphenyl)guanidine; methanesulfonic acid CAS Name: 2-(4-tert-butylphenyl)-1-(3-phenylmethoxyphenyl)guanidine; methanesulfonic acid IUPAC Name: 2-(4-tert-butylphenyl)-1-(3-phenylmethoxyphenyl)guanidine; methanesulfonic acid Traditional Name: 1-(3-benzoxyphenyl)-2-(4-tert-butylphenyl)guanidine; mesylic acid Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N=C(N)NC2=CC(=CC=C2)OCC3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N=C(N)NC2=CC(=CC=C2)OCC3=CC=CC=C3.CS(=O)(=O)O

InChI

InChI=1S/C24H27N3O.CH4O3S/c1-24(2,3)19-12-14-20(15-13-19)26-23(25)27-21-10-7-11-22(16-21)28-17-18-8-5-4-6-9-18;1-5(2,3)4/h4-16H,17H2,1-3H3,(H3,25,26,27);1H3,(H,2,3,4)