ethanedioic acid; N-[(4-imidazol-1-ylphenyl)methyl]-1-(phenylmethyl)pyrrolidin-3-amine

Systemtic Name: ethanedioic acid; N-[(4-imidazol-1-ylphenyl)methyl]-1-(phenylmethyl)pyrrolidin-3-amine Openeye Name: 1-benzyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-amine; oxalic acid CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-1-(phenylmethyl)-3-pyrrolidinamine; oxalic acid IUPAC Name: 1-benzyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-amine; oxalic acid Traditional Name: (1-benzylpyrrolidin-3-yl)-(4-imidazol-1-ylbenzyl)amine; oxalic acid Formula: C25H28N4O8 MolecularWeight: 512.51182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NCC2=CC=C(C=C2)N3C=CN=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC1NCC2=CC=C(C=C2)N3C=CN=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N4.2C2H2O4/c1-2-4-19(5-3-1)15-24-12-10-20(16-24)23-14-18-6-8-21(9-7-18)25-13-11-22-17-25;2*3-1(4)2(5)6/h1-9,11,13,17,20,23H,10,12,14-16H2;2*(H,3,4)(H,5,6)