N-(1-adamantylmethyl)-1-(4-imidazol-1-ylphenyl)methanamine; ethanedioic acid

Systemtic Name: N-(1-adamantylmethyl)-1-(4-imidazol-1-ylphenyl)methanamine; ethanedioic acid Openeye Name: N-(1-adamantylmethyl)-1-(4-imidazol-1-ylphenyl)methanamine; oxalic acid CAS Name: N-(1-adamantylmethyl)-1-[4-(1-imidazolyl)phenyl]methanamine; oxalic acid IUPAC Name: N-(1-adamantylmethyl)-1-(4-imidazol-1-ylphenyl)methanamine; oxalic acid Traditional Name: 1-adamantylmethyl-(4-imidazol-1-ylbenzyl)amine; oxalic acid Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNCC4=CC=C(C=C4)N5C=CN=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNCC4=CC=C(C=C4)N5C=CN=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3.C2H2O4/c1-3-20(24-6-5-22-15-24)4-2-16(1)13-23-14-21-10-17-7-18(11-21)9-19(8-17)12-21;3-1(4)2(5)6/h1-6,15,17-19,23H,7-14H2;(H,3,4)(H,5,6)