2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-2-(2-hydroxyethyloxy)-5-iodanyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-2-(2-hydroxyethyloxy)-5-iodanyl-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-2-(2-hydroxyethoxy)-5-iodo-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-2-(2-hydroxyethoxy)-5-iodophenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-2-(2-hydroxyethoxy)-5-iodophenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethyl-2-(2-hydroxyethoxy)-5-iodo-phenyl]acetic acid Formula: C19H22IN3O4 MolecularWeight: 483.30015

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1OCCO)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)I

Isomeric SMILES

CCC1=CC(=CC(=C1OCCO)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)I

InChI

InChI=1S/C19H22IN3O4/c1-2-11-9-13(20)10-15(17(11)27-8-7-24)16(19(25)26)23-14-5-3-12(4-6-14)18(21)22/h3-6,9-10,16,23-24H,2,7-8H2,1H3,(H3,21,22)(H,25,26)