N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(3-phenyl-1,2,4-triazol-1-yl)ethanamide; ethanoic acid

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(3-phenyl-1,2,4-triazol-1-yl)ethanamide; ethanoic acid Openeye Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide IUPAC Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-2-ethoxy-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2C=NC(=N2)C3=CC=CC=C3.CC(=O)O

Isomeric SMILES

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2C=NC(=N2)C3=CC=CC=C3.CC(=O)O

InChI

InChI=1S/C20H22N6O2.C2H4O2/c1-2-28-20(26-13-24-18(25-26)16-6-4-3-5-7-16)19(27)23-12-14-8-10-15(11-9-14)17(21)22;1-2(3)4/h3-11,13,20H,2,12H2,1H3,(H3,21,22)(H,23,27);1H3,(H,3,4)