ethyl (E,3R)-3-butanoyloxy-5-[3-(4-fluorophenyl)-1-propan-2-yl-indol-2-yl]pent-4-enoate

Systemtic Name: ethyl (E,3R)-3-butanoyloxy-5-[3-(4-fluorophenyl)-1-propan-2-yl-indol-2-yl]pent-4-enoate Openeye Name: ethyl (E,3R)-3-butanoyloxy-5-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]pent-4-enoate CAS Name: (E,3R)-5-[3-(4-fluorophenyl)-1-propan-2-yl-2-indolyl]-3-(1-oxobutoxy)-4-pentenoic acid ethyl ester IUPAC Name: ethyl (E,3R)-3-butanoyloxy-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]pent-4-enoate Traditional Name: (E,3R)-3-butyryloxy-5-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]pent-4-enoic acid ethyl ester Formula: C28H32FNO4 MolecularWeight: 465.556383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(CC(=O)OCC)C=CC1=C(C2=CC=CC=C2N1C(C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC(=O)O[C@H](CC(=O)OCC)/C=C/C1=C(C2=CC=CC=C2N1C(C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C28H32FNO4/c1-5-9-26(31)34-22(18-27(32)33-6-2)16-17-25-28(20-12-14-21(29)15-13-20)23-10-7-8-11-24(23)30(25)19(3)4/h7-8,10-17,19,22H,5-6,9,18H2,1-4H3/b17-16+/t22-/m0/s1