2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid

Systemtic Name: 2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid Openeye Name: 2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid CAS Name: 2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid IUPAC Name: 2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid Traditional Name: 2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid Formula: C32H31N3O12 MolecularWeight: 649.60144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C3=CC4=C(N3)C=C(C=C4)C(=O)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C3=CC4=C(N3)C=C(C=C4)C(=O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C32H31N3O12/c1-18-2-6-24(34(14-28(36)37)15-29(38)39)26(10-18)46-8-9-47-27-13-20(5-7-25(27)35(16-30(40)41)17-31(42)43)22-11-19-3-4-21(32(44)45)12-23(19)33-22/h2-7,10-13,33H,8-9,14-17H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)