2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]-4-(4-methylphenyl)pyridin-2-yl]pyridin-2-yl]methyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]-4-(4-methylphenyl)pyridin-2-yl]pyridin-2-yl]methyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridyl]-4-(p-tolyl)-2-pyridyl]-2-pyridyl]methyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]methyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]-4-(4-methylphenyl)pyridin-2-yl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridyl]-4-(p-tolyl)-2-pyridyl]-2-pyridyl]methyl-(carboxymethyl)amino]acetic acid Formula: C32H31N5O8 MolecularWeight: 613.61724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=NC(=CC=C3)CN(CC(=O)O)CC(=O)O)C4=NC(=CC=C4)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=NC(=CC=C3)CN(CC(=O)O)CC(=O)O)C4=NC(=CC=C4)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C32H31N5O8/c1-20-8-10-21(11-9-20)22-12-27(25-6-2-4-23(33-25)14-36(16-29(38)39)17-30(40)41)35-28(13-22)26-7-3-5-24(34-26)15-37(18-31(42)43)19-32(44)45/h2-13H,14-19H2,1H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)