2-[(4-carbamimidoylphenyl)amino]-4-ethoxy-5-methyl-6-(phenoxymethyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-4-ethoxy-5-methyl-6-(phenoxymethyl)benzene-1,3-dicarboxylic acid Openeye Name: 2-(4-carbamimidoylanilino)-4-ethoxy-5-methyl-6-(phenoxymethyl)benzene-1,3-dicarboxylic acid CAS Name: 2-(4-carbamimidoylanilino)-4-ethoxy-5-methyl-6-(phenoxymethyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2-(4-carbamimidoylanilino)-4-ethoxy-5-methyl-6-(phenoxymethyl)benzene-1,3-dicarboxylic acid Traditional Name: 2-(4-amidinoanilino)-4-ethoxy-5-methyl-6-(phenoxymethyl)isophthalic acid Formula: C25H25N3O6 MolecularWeight: 463.4825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1C(=O)O)NC2=CC=C(C=C2)C(=N)N)C(=O)O)COC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=C(C(=C(C(=C1C(=O)O)NC2=CC=C(C=C2)C(=N)N)C(=O)O)COC3=CC=CC=C3)C

InChI

InChI=1S/C25H25N3O6/c1-3-33-22-14(2)18(13-34-17-7-5-4-6-8-17)19(24(29)30)21(20(22)25(31)32)28-16-11-9-15(10-12-16)23(26)27/h4-12,28H,3,13H2,1-2H3,(H3,26,27)(H,29,30)(H,31,32)