[(1S,2S)-3-(4-methylquinolin-2-yl)-2-(phenylcarbonyloxymethyl)cyclobutyl]methyl benzoate

Systemtic Name: [(1S,2S)-3-(4-methylquinolin-2-yl)-2-(phenylcarbonyloxymethyl)cyclobutyl]methyl benzoate Openeye Name: [(1S,2S)-2-(benzoyloxymethyl)-3-(4-methyl-2-quinolyl)cyclobutyl]methyl benzoate CAS Name: benzoic acid [(1S,2S)-2-(benzoyloxymethyl)-3-(4-methyl-2-quinolinyl)cyclobutyl]methyl ester IUPAC Name: [(1S,2S)-2-(benzoyloxymethyl)-3-(4-methylquinolin-2-yl)cyclobutyl]methyl benzoate Traditional Name: benzoic acid [(1S,2S)-2-(benzoyloxymethyl)-3-(4-methyl-2-quinolyl)cyclobutyl]methyl ester Formula: C30H27NO4 MolecularWeight: 465.53968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)C3CC(C3COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)C3C[C@@H]([C@H]3COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H27NO4/c1-20-16-28(31-27-15-9-8-14-24(20)27)25-17-23(18-34-29(32)21-10-4-2-5-11-21)26(25)19-35-30(33)22-12-6-3-7-13-22/h2-16,23,25-26H,17-19H2,1H3/t23-,25?,26-/m1/s1