1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-(4-phenylmethoxyphenyl)guanidine; methanesulfonic acid

Systemtic Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-(4-phenylmethoxyphenyl)guanidine; methanesulfonic acid Openeye Name: 2-(4-benzyloxyphenyl)-1-[(4-tert-butylphenyl)methyl]-1-(4-sec-butylphenyl)guanidine; methanesulfonic acid CAS Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-(4-phenylmethoxyphenyl)guanidine; methanesulfonic acid IUPAC Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-(4-phenylmethoxyphenyl)guanidine; methanesulfonic acid Traditional Name: 2-(4-benzoxyphenyl)-1-(4-tert-butylbenzyl)-1-(4-sec-butylphenyl)guanidine; mesylic acid Formula: C36H45N3O4S MolecularWeight: 615.8252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)C)C(=NC3=CC=C(C=C3)OCC4=CC=CC=C4)N.CS(=O)(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)C)C(=NC3=CC=C(C=C3)OCC4=CC=CC=C4)N.CS(=O)(=O)O

InChI

InChI=1S/C35H41N3O.CH4O3S/c1-6-26(2)29-14-20-32(21-15-29)38(24-27-12-16-30(17-13-27)35(3,4)5)34(36)37-31-18-22-33(23-19-31)39-25-28-10-8-7-9-11-28;1-5(2,3)4/h7-23,26H,6,24-25H2,1-5H3,(H2,36,37);1H3,(H,2,3,4)