2-[2-[4-[1-(furan-2-ylmethyl)-5-methoxy-indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[1-(furan-2-ylmethyl)-5-methoxy-indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-(2-furylmethyl)-5-methoxy-indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-(2-furanylmethyl)-5-methoxy-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(furan-2-ylmethyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-(2-furfuryl)-5-methoxy-indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O)CC5=CC=CO5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O)CC5=CC=CO5

InChI

InChI=1S/C28H30N2O5/c1-33-21-8-9-26-24(17-21)25(19-30(26)18-22-5-4-15-34-22)20-10-12-29(13-11-20)14-16-35-27-7-3-2-6-23(27)28(31)32/h2-9,15,17,19-20H,10-14,16,18H2,1H3,(H,31,32)