3-[[4-[1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-[1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[1-(3-furylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[1-(3-furanylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[1-(3-furfuryl)indol-3-yl]piperidino]methyl]benzoic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=COC=C4)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=COC=C4)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C26H26N2O3/c29-26(30)22-5-3-4-19(14-22)15-27-11-8-21(9-12-27)24-17-28(16-20-10-13-31-18-20)25-7-2-1-6-23(24)25/h1-7,10,13-14,17-18,21H,8-9,11-12,15-16H2,(H,29,30)