3-[(2-carboxylato-1H-indol-3-yl)-(5-chloranyl-3-methoxy-2-oxidanyl-phenyl)methyl]-1H-indole-2-carboxylate

Systemtic Name: 3-[(2-carboxylato-1H-indol-3-yl)-(5-chloranyl-3-methoxy-2-oxidanyl-phenyl)methyl]-1H-indole-2-carboxylate Openeye Name: 3-[(2-carboxylato-1H-indol-3-yl)-(5-chloro-2-hydroxy-3-methoxy-phenyl)methyl]-1H-indole-2-carboxylate CAS Name: 3-[(2-carboxylato-1H-indol-3-yl)-(5-chloro-2-hydroxy-3-methoxyphenyl)methyl]-1H-indole-2-carboxylate IUPAC Name: 3-[(2-carboxylato-1H-indol-3-yl)-(5-chloro-2-hydroxy-3-methoxyphenyl)methyl]-1H-indole-2-carboxylate Traditional Name: 3-[(2-carboxylato-1H-indol-3-yl)-(5-chloro-2-hydroxy-3-methoxy-phenyl)methyl]-1H-indole-2-carboxylate Formula: C26H17ClN2O6-2 MolecularWeight: 488.87598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Cl)C(C2=C(NC3=CC=CC=C32)C(=O)[O-])C4=C(NC5=CC=CC=C54)C(=O)[O-])O

Isomeric SMILES

COC1=C(C(=CC(=C1)Cl)C(C2=C(NC3=CC=CC=C32)C(=O)[O-])C4=C(NC5=CC=CC=C54)C(=O)[O-])O

InChI

InChI=1S/C26H19ClN2O6/c1-35-18-11-12(27)10-15(24(18)30)19(20-13-6-2-4-8-16(13)28-22(20)25(31)32)21-14-7-3-5-9-17(14)29-23(21)26(33)34/h2-11,19,28-30H,1H3,(H,31,32)(H,33,34)/p-2