4-[(4-carbamimidoylphenyl)amino]-5-(hydroxymethyl)-2-methyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[(4-carbamimidoylphenyl)amino]-5-(hydroxymethyl)-2-methyl-benzene-1,3-dicarboxylic acid Openeye Name: 4-(4-carbamimidoylanilino)-5-(hydroxymethyl)-2-methyl-benzene-1,3-dicarboxylic acid CAS Name: 4-(4-carbamimidoylanilino)-5-(hydroxymethyl)-2-methylbenzene-1,3-dicarboxylic acid IUPAC Name: 4-(4-carbamimidoylanilino)-5-(hydroxymethyl)-2-methylbenzene-1,3-dicarboxylic acid Traditional Name: 4-(4-amidinoanilino)-2-methyl-5-methylol-isophthalic acid Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)CO)NC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)CO)NC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C17H17N3O5/c1-8-12(16(22)23)6-10(7-21)14(13(8)17(24)25)20-11-4-2-9(3-5-11)15(18)19/h2-6,20-21H,7H2,1H3,(H3,18,19)(H,22,23)(H,24,25)