2-[[3-[1-[3-[[bis(carboxymethyl)amino]methyl]-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]-2-methyl-6-oxidanyl-5-propan-2-yl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[3-[1-[3-[[bis(carboxymethyl)amino]methyl]-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]-2-methyl-6-oxidanyl-5-propan-2-yl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-isopropyl-2-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-3-isopropyl-6-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-1-isobenzofuranyl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-isopropyl-2-methyl-phenyl]-3-keto-phthalan-1-yl]-2-hydroxy-3-isopropyl-6-methyl-benzyl]-(carboxymethyl)amino]acetic acid Formula: C38H44N2O12 MolecularWeight: 720.76216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4C)CN(CC(=O)O)CC(=O)O)O)C(C)C)C(C)C)O)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4C)CN(CC(=O)O)CC(=O)O)O)C(C)C)C(C)C)O)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C38H44N2O12/c1-19(2)24-11-29(21(5)26(35(24)49)13-39(15-31(41)42)16-32(43)44)38(28-10-8-7-9-23(28)37(51)52-38)30-12-25(20(3)4)36(50)27(22(30)6)14-40(17-33(45)46)18-34(47)48/h7-12,19-20,49-50H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)