N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[2-oxidanylidene-3-(pyridin-3-ylamino)pyridin-1-yl]ethanamide; ethanoic acid

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[2-oxidanylidene-3-(pyridin-3-ylamino)pyridin-1-yl]ethanamide; ethanoic acid Openeye Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[2-oxo-3-(3-pyridylamino)-1-pyridyl]acetamide CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[2-oxo-3-(3-pyridinylamino)-1-pyridinyl]acetamide IUPAC Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[2-oxo-3-(pyridin-3-ylamino)pyridin-1-yl]acetamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-2-ethoxy-2-[2-keto-3-(3-pyridylamino)-1-pyridyl]acetamide Formula: C24H28N6O5 MolecularWeight: 480.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2C=CC=C(C2=O)NC3=CN=CC=C3.CC(=O)O

Isomeric SMILES

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2C=CC=C(C2=O)NC3=CN=CC=C3.CC(=O)O

InChI

InChI=1S/C22H24N6O3.C2H4O2/c1-2-31-22(20(29)26-13-15-7-9-16(10-8-15)19(23)24)28-12-4-6-18(21(28)30)27-17-5-3-11-25-14-17;1-2(3)4/h3-12,14,22,27H,2,13H2,1H3,(H3,23,24)(H,26,29);1H3,(H,3,4)