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

Systemtic Name: ethyl 3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)indole-2-carboxylate Openeye Name: ethyl 3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)indole-2-carboxylate CAS Name: 3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)indole-2-carboxylate Traditional Name: 1-(4-fluorobenzyl)-5-methylol-3-p-phenetyl-indole-2-carboxylic acid ethyl ester Formula: C27H26FNO4 MolecularWeight: 447.498043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26FNO4/c1-3-32-22-12-8-20(9-13-22)25-23-15-19(17-30)7-14-24(23)29(26(25)27(31)33-4-2)16-18-5-10-21(28)11-6-18/h5-15,30H,3-4,16-17H2,1-2H3