3-[[5-methoxy-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[5-methoxy-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[5-methoxy-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]methyl]benzoic acid CAS Name: 3-[[5-methoxy-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[5-methoxy-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]methyl]benzoic acid Traditional Name: 3-[[5-methoxy-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]methyl]benzoic acid Formula: C24H19N3O3 MolecularWeight: 397.42596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2)C3=CC4=C(N3)N=CC=C4)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2)C3=CC4=C(N3)N=CC=C4)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C24H19N3O3/c1-30-19-7-8-21-18(11-19)13-22(20-12-16-6-3-9-25-23(16)26-20)27(21)14-15-4-2-5-17(10-15)24(28)29/h2-13H,14H2,1H3,(H,25,26)(H,28,29)