2-[[4-[1-(furan-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[4-[1-(furan-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 2-[[4-[1-(2-furylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 2-[[4-[1-(2-furanylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 2-[[4-[1-(furan-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 2-[[4-[1-(2-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=CC=CO4)CC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=CO4)CC5=CC=CC=C5C(=O)O

InChI

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