2-[(4-carbamimidoylphenyl)amino]-6-(2-hydroxyethyloxy)-3-methoxy-5-methyl-terephthalic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-6-(2-hydroxyethyloxy)-3-methoxy-5-methyl-terephthalic acid Openeye Name: 2-(4-carbamimidoylanilino)-6-(2-hydroxyethoxy)-3-methoxy-5-methyl-terephthalic acid CAS Name: 2-(4-carbamimidoylanilino)-6-(2-hydroxyethoxy)-3-methoxy-5-methylterephthalic acid IUPAC Name: 2-(4-carbamimidoylanilino)-6-(2-hydroxyethoxy)-3-methoxy-5-methylterephthalic acid Traditional Name: 2-(4-amidinoanilino)-6-(2-hydroxyethoxy)-3-methoxy-5-methyl-terephthalic acid Formula: C19H21N3O7 MolecularWeight: 403.38594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OCCO)C(=O)O)NC2=CC=C(C=C2)C(=N)N)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1OCCO)C(=O)O)NC2=CC=C(C=C2)C(=N)N)OC)C(=O)O

InChI

InChI=1S/C19H21N3O7/c1-9-12(18(24)25)16(28-2)14(13(19(26)27)15(9)29-8-7-23)22-11-5-3-10(4-6-11)17(20)21/h3-6,22-23H,7-8H2,1-2H3,(H3,20,21)(H,24,25)(H,26,27)