tert-butyl (E,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: tert-butyl (E,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: tert-butyl (E,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-5-hydroxy-3-keto-hept-6-enoic acid tert-butyl ester Formula: C29H30FNO4 MolecularWeight: 475.551203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)CC(C=CC1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)O

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)C[C@@H](/C=C/C1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C29H30FNO4/c1-29(2,3)35-26(34)17-22(33)16-21(32)14-15-24-27(18-10-12-20(30)13-11-18)23-6-4-5-7-25(23)31-28(24)19-8-9-19/h4-7,10-15,19,21,32H,8-9,16-17H2,1-3H3/b15-14+/t21-/m1/s1