2-[[2-[2-[5-[1,3-benzodioxol-5-yl(oxidanyl)methyl]-2-[bis(carboxymethyl)amino]phenoxy]cyclopentyl]oxy-4-methyl-phenyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[2-[5-[1,3-benzodioxol-5-yl(oxidanyl)methyl]-2-[bis(carboxymethyl)amino]phenoxy]cyclopentyl]oxy-4-methyl-phenyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[2-[2-[5-[1,3-benzodioxol-5-yl(hydroxy)methyl]-2-[bis(carboxymethyl)amino]phenoxy]cyclopentoxy]-N-(carboxymethyl)-4-methyl-anilino]acetic acid CAS Name: 2-[2-[2-[5-[1,3-benzodioxol-5-yl(hydroxy)methyl]-2-[bis(carboxymethyl)amino]phenoxy]cyclopentyl]oxy-N-(carboxymethyl)-4-methylanilino]acetic acid IUPAC Name: 2-[2-[2-[5-[1,3-benzodioxol-5-yl(hydroxy)methyl]-2-[bis(carboxymethyl)amino]phenoxy]cyclopentyl]oxy-N-(carboxymethyl)-4-methylanilino]acetic acid Traditional Name: 2-[2-[2-[5-[1,3-benzodioxol-5-yl(hydroxy)methyl]-2-[bis(carboxymethyl)amino]phenoxy]cyclopentoxy]-N-(carboxymethyl)-4-methyl-anilino]acetic acid Formula: C34H36N2O13 MolecularWeight: 680.65524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OC2CCCC2OC3=C(C=CC(=C3)C(C4=CC5=C(C=C4)OCO5)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OC2CCCC2OC3=C(C=CC(=C3)C(C4=CC5=C(C=C4)OCO5)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C34H36N2O13/c1-19-5-8-22(35(14-30(37)38)15-31(39)40)27(11-19)48-25-3-2-4-26(25)49-28-12-20(6-9-23(28)36(16-32(41)42)17-33(43)44)34(45)21-7-10-24-29(13-21)47-18-46-24/h5-13,25-26,34,45H,2-4,14-18H2,1H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)