2-methoxy-5-[[4-[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[4-[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[4-[1-(3-thienylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 2-methoxy-5-[[4-[1-(3-thiophenylmethyl)-3-pyrrolo[2,3-b]pyridinyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[4-[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[4-[1-(3-thenyl)pyrrolo[2,3-b]pyridin-3-yl]piperidino]methyl]benzoic acid Formula: C26H27N3O3S MolecularWeight: 461.57588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=C3C=CC=N4)CC5=CSC=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=C3C=CC=N4)CC5=CSC=C5)C(=O)O

InChI

InChI=1S/C26H27N3O3S/c1-32-24-5-4-18(13-22(24)26(30)31)14-28-10-6-20(7-11-28)23-16-29(15-19-8-12-33-17-19)25-21(23)3-2-9-27-25/h2-5,8-9,12-13,16-17,20H,6-7,10-11,14-15H2,1H3,(H,30,31)