ethanedioic acid; N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine

Systemtic Name: ethanedioic acid; N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine Openeye Name: N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid IUPAC Name: N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid Traditional Name: (4-imidazol-1-ylbenzyl)-[2-(4-methoxyphenyl)ethyl]amine; oxalic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNCC2=CC=C(C=C2)N3C=CN=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCNCC2=CC=C(C=C2)N3C=CN=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21N3O.C2H2O4/c1-23-19-8-4-16(5-9-19)10-11-20-14-17-2-6-18(7-3-17)22-13-12-21-15-22;3-1(4)2(5)6/h2-9,12-13,15,20H,10-11,14H2,1H3;(H,3,4)(H,5,6)