ethyl 3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-oxidanyl-indole-2-carboxylate

Systemtic Name: ethyl 3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-oxidanyl-indole-2-carboxylate Openeye Name: ethyl 3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-hydroxy-indole-2-carboxylate CAS Name: 3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-hydroxy-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-hydroxyindole-2-carboxylate Traditional Name: 1-(4-fluorobenzyl)-5-hydroxy-3-p-phenetyl-indole-2-carboxylic acid ethyl ester Formula: C26H24FNO4 MolecularWeight: 433.471463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)O)CC4=CC=C(C=C4)F)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)O)CC4=CC=C(C=C4)F)C(=O)OCC

InChI

InChI=1S/C26H24FNO4/c1-3-31-21-12-7-18(8-13-21)24-22-15-20(29)11-14-23(22)28(25(24)26(30)32-4-2)16-17-5-9-19(27)10-6-17/h5-15,29H,3-4,16H2,1-2H3