4-azanyl-N-[[4-carbamimidoyl-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methyl-benzamide; ethanoic acid

Systemtic Name: 4-azanyl-N-[[4-carbamimidoyl-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methyl-benzamide; ethanoic acid Openeye Name: acetic acid; 4-amino-N-[[4-carbamimidoyl-2-(2-pyridylmethoxy)phenyl]methyl]-3-methyl-benzamide CAS Name: acetic acid; 4-amino-N-[[4-carbamimidoyl-2-(2-pyridinylmethoxy)phenyl]methyl]-3-methylbenzamide IUPAC Name: acetic acid; 4-amino-N-[[4-carbamimidoyl-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylbenzamide Traditional Name: acetic acid; N-[4-amidino-2-(2-pyridylmethoxy)benzyl]-4-amino-3-methyl-benzamide Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC3=CC=CC=N3)N.CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC3=CC=CC=N3)N.CC(=O)O

InChI

InChI=1S/C22H23N5O2.C2H4O2/c1-14-10-16(7-8-19(14)23)22(28)27-12-17-6-5-15(21(24)25)11-20(17)29-13-18-4-2-3-9-26-18;1-2(3)4/h2-11H,12-13,23H2,1H3,(H3,24,25)(H,27,28);1H3,(H,3,4)