thiophen-2-ylmethyl 5-[[4-(6-fluoranyl-1H-indol-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoate

Systemtic Name: thiophen-2-ylmethyl 5-[[4-(6-fluoranyl-1H-indol-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoate Openeye Name: 2-thienylmethyl 5-[[4-(6-fluoro-1H-indol-3-yl)-1-piperidyl]methyl]-2-methoxy-benzoate CAS Name: 5-[[4-(6-fluoro-1H-indol-3-yl)-1-piperidinyl]methyl]-2-methoxybenzoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 5-[[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-methoxybenzoate Traditional Name: 5-[[4-(6-fluoro-1H-indol-3-yl)piperidino]methyl]-2-methoxy-benzoic acid 2-thenyl ester Formula: C27H27FN2O3S MolecularWeight: 478.578283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CNC4=C3C=CC(=C4)F)C(=O)OCC5=CC=CS5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CNC4=C3C=CC(=C4)F)C(=O)OCC5=CC=CS5

InChI

InChI=1S/C27H27FN2O3S/c1-32-26-7-4-18(13-23(26)27(31)33-17-21-3-2-12-34-21)16-30-10-8-19(9-11-30)24-15-29-25-14-20(28)5-6-22(24)25/h2-7,12-15,19,29H,8-11,16-17H2,1H3