3-[[4-(6-fluoranyl-1-prop-2-enyl-indol-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoic acid

Systemtic Name: 3-[[4-(6-fluoranyl-1-prop-2-enyl-indol-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 3-[[4-(1-allyl-6-fluoro-indol-3-yl)-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 3-[[4-(6-fluoro-1-prop-2-enyl-3-indolyl)-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 3-[[4-(6-fluoro-1-prop-2-enylindol-3-yl)piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 3-[[4-(1-allyl-6-fluoro-indol-3-yl)piperidino]methyl]-2-methoxy-benzoic acid Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN2O3/c1-3-11-28-16-22(20-8-7-19(26)14-23(20)28)17-9-12-27(13-10-17)15-18-5-4-6-21(25(29)30)24(18)31-2/h3-8,14,16-17H,1,9-13,15H2,2H3,(H,29,30)