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

Systemtic Name: 3-[[4-[1-(cyclopropylmethyl)-5-fluoranyl-indol-3-yl]piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 3-[[4-[1-(cyclopropylmethyl)-5-fluoro-indol-3-yl]-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 3-[[4-[1-(cyclopropylmethyl)-5-fluoro-3-indolyl]-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 3-[[4-[1-(cyclopropylmethyl)-5-fluoroindol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 3-[[4-[1-(cyclopropylmethyl)-5-fluoro-indol-3-yl]piperidino]methyl]-2-methoxy-benzoic acid Formula: C26H29FN2O3 MolecularWeight: 436.518463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1CN2CCC(CC2)C3=CN(C4=C3C=C(C=C4)F)CC5CC5)C(=O)O

Isomeric SMILES

COC1=C(C=CC=C1CN2CCC(CC2)C3=CN(C4=C3C=C(C=C4)F)CC5CC5)C(=O)O

InChI

InChI=1S/C26H29FN2O3/c1-32-25-19(3-2-4-21(25)26(30)31)15-28-11-9-18(10-12-28)23-16-29(14-17-5-6-17)24-8-7-20(27)13-22(23)24/h2-4,7-8,13,16-18H,5-6,9-12,14-15H2,1H3,(H,30,31)