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

Systemtic Name: 2-methoxy-5-[[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[4-[1-(4-pyridylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 2-methoxy-5-[[4-[1-(pyridin-4-ylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[4-[1-(4-pyridylmethyl)indol-3-yl]piperidino]methyl]benzoic acid Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CC5=CC=NC=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=CC=CC=C43)CC5=CC=NC=C5)C(=O)O

InChI

InChI=1S/C28H29N3O3/c1-34-27-7-6-21(16-24(27)28(32)33)17-30-14-10-22(11-15-30)25-19-31(18-20-8-12-29-13-9-20)26-5-3-2-4-23(25)26/h2-9,12-13,16,19,22H,10-11,14-15,17-18H2,1H3,(H,32,33)