ethyl 5-[(2S)-3-[(2-fluorophenyl)amino]-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-3-[(2-fluorophenyl)amino]-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 5-[(2S)-3-(2-fluoroanilino)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-[(2S)-3-(2-fluoroanilino)-2-hydroxypropoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-3-(2-fluoroanilino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-[(2S)-3-(2-fluoroanilino)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNC3=CC=CC=C3F)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](CNC3=CC=CC=C3F)O)C)C

InChI

InChI=1S/C22H25FN2O4/c1-4-28-22(27)21-14(2)25(3)20-10-9-16(11-17(20)21)29-13-15(26)12-24-19-8-6-5-7-18(19)23/h5-11,15,24,26H,4,12-13H2,1-3H3/t15-/m0/s1