1-(4-tert-butylphenyl)-6-chloranyl-3-(3-methoxyphenoxy)pyrrolo[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-6-chloranyl-3-(3-methoxyphenoxy)pyrrolo[2,3-b]pyridine-2-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-6-chloro-3-(3-methoxyphenoxy)pyrrolo[2,3-b]pyridine-2-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-6-chloro-3-(3-methoxyphenoxy)-2-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-6-chloro-3-(3-methoxyphenoxy)pyrrolo[2,3-b]pyridine-2-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-6-chloro-3-(3-methoxyphenoxy)pyrrolo[2,3-b]pyridine-2-carboxylic acid Formula: C25H23ClN2O4 MolecularWeight: 450.91412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=C(C3=C2N=C(C=C3)Cl)OC4=CC(=CC=C4)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=C(C3=C2N=C(C=C3)Cl)OC4=CC(=CC=C4)OC)C(=O)O

InChI

InChI=1S/C25H23ClN2O4/c1-25(2,3)15-8-10-16(11-9-15)28-21(24(29)30)22(19-12-13-20(26)27-23(19)28)32-18-7-5-6-17(14-18)31-4/h5-14H,1-4H3,(H,29,30)