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

Systemtic Name: 3-[[4-[1-(furan-2-ylmethyl)-5-methoxy-indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[1-(2-furylmethyl)-5-methoxy-indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[1-(2-furanylmethyl)-5-methoxy-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[1-(furan-2-ylmethyl)-5-methoxyindol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[1-(2-furfuryl)-5-methoxy-indol-3-yl]piperidino]methyl]benzoic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O)CC5=CC=CO5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O)CC5=CC=CO5

InChI

InChI=1S/C27H28N2O4/c1-32-22-7-8-26-24(15-22)25(18-29(26)17-23-6-3-13-33-23)20-9-11-28(12-10-20)16-19-4-2-5-21(14-19)27(30)31/h2-8,13-15,18,20H,9-12,16-17H2,1H3,(H,30,31)