3-[[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-piperidin-1-yl-methyl]benzoic acid

Systemtic Name: 3-[[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-piperidin-1-yl-methyl]benzoic acid Openeye Name: 3-[[1-(3-furylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-(1-piperidyl)methyl]benzoic acid CAS Name: 3-[[1-(3-furanylmethyl)-3-pyrrolo[2,3-b]pyridinyl]-(1-piperidinyl)methyl]benzoic acid IUPAC Name: 3-[[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-piperidin-1-ylmethyl]benzoic acid Traditional Name: 3-[[1-(3-furfuryl)pyrrolo[2,3-b]pyridin-3-yl]-piperidino-methyl]benzoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(C2=CC=CC(=C2)C(=O)O)C3=CN(C4=C3C=CC=N4)CC5=COC=C5

Isomeric SMILES

C1CCN(CC1)C(C2=CC=CC(=C2)C(=O)O)C3=CN(C4=C3C=CC=N4)CC5=COC=C5

InChI

InChI=1S/C25H25N3O3/c29-25(30)20-7-4-6-19(14-20)23(27-11-2-1-3-12-27)22-16-28(15-18-9-13-31-17-18)24-21(22)8-5-10-26-24/h4-10,13-14,16-17,23H,1-3,11-12,15H2,(H,29,30)