ethanedioic acid; 1-phenyl-2-(4-phenylmethoxyphenyl)-1-(phenylmethyl)guanidine

Systemtic Name: ethanedioic acid; 1-phenyl-2-(4-phenylmethoxyphenyl)-1-(phenylmethyl)guanidine Openeye Name: 1-benzyl-2-(4-benzyloxyphenyl)-1-phenyl-guanidine; oxalic acid CAS Name: oxalic acid; 1-phenyl-2-(4-phenylmethoxyphenyl)-1-(phenylmethyl)guanidine IUPAC Name: 1-benzyl-1-phenyl-2-(4-phenylmethoxyphenyl)guanidine; oxalic acid Traditional Name: 2-(4-benzoxyphenyl)-1-benzyl-1-phenyl-guanidine; oxalic acid Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=NC3=CC=C(C=C3)OCC4=CC=CC=C4)N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=NC3=CC=C(C=C3)OCC4=CC=CC=C4)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H25N3O.C2H2O4/c28-27(30(25-14-8-3-9-15-25)20-22-10-4-1-5-11-22)29-24-16-18-26(19-17-24)31-21-23-12-6-2-7-13-23;3-1(4)2(5)6/h1-19H,20-21H2,(H2,28,29);(H,3,4)(H,5,6)