1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-(4-methoxyphenyl)-1-piperonyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C3=C2C=CC=N3)CC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C3=C2C=CC=N3)CC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C23H18N2O5/c1-28-16-7-5-15(6-8-16)20-17-3-2-10-24-22(17)25(21(20)23(26)27)12-14-4-9-18-19(11-14)30-13-29-18/h2-11H,12-13H2,1H3,(H,26,27)