propan-2-yl (E,5S)-5-oxidanyl-3-oxidanylidene-7-(4-phenyl-2-propan-2-yl-quinolin-3-yl)hept-6-enoate

Systemtic Name: propan-2-yl (E,5S)-5-oxidanyl-3-oxidanylidene-7-(4-phenyl-2-propan-2-yl-quinolin-3-yl)hept-6-enoate Openeye Name: isopropyl (E,5S)-5-hydroxy-7-(2-isopropyl-4-phenyl-3-quinolyl)-3-oxo-hept-6-enoate CAS Name: (E,5S)-5-hydroxy-3-oxo-7-(4-phenyl-2-propan-2-yl-3-quinolinyl)-6-heptenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E,5S)-5-hydroxy-3-oxo-7-(4-phenyl-2-propan-2-ylquinolin-3-yl)hept-6-enoate Traditional Name: (E,5S)-5-hydroxy-7-(2-isopropyl-4-phenyl-3-quinolyl)-3-keto-hept-6-enoic acid isopropyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1C=CC(CC(=O)CC(=O)OC(C)C)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1/C=C/[C@H](CC(=O)CC(=O)OC(C)C)O)C3=CC=CC=C3

InChI

InChI=1S/C28H31NO4/c1-18(2)28-24(15-14-21(30)16-22(31)17-26(32)33-19(3)4)27(20-10-6-5-7-11-20)23-12-8-9-13-25(23)29-28/h5-15,18-19,21,30H,16-17H2,1-4H3/b15-14+/t21-/m1/s1