[(2S,4S,5R)-2-(4-methylquinolin-2-yl)-5-(phenylcarbonyloxy)oxan-4-yl] benzoate

Systemtic Name: [(2S,4S,5R)-2-(4-methylquinolin-2-yl)-5-(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [(2S,4S,5R)-5-benzoyloxy-2-(4-methyl-2-quinolyl)tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,4S,5R)-5-benzoyloxy-2-(4-methyl-2-quinolinyl)-4-oxanyl] ester IUPAC Name: [(2S,4S,5R)-5-benzoyloxy-2-(4-methylquinolin-2-yl)oxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,4S,5R)-5-benzoyloxy-2-(4-methyl-2-quinolyl)tetrahydropyran-4-yl] ester Formula: C29H25NO5 MolecularWeight: 467.5125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)C3CC(C(CO3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)[C@@H]3C[C@@H]([C@@H](CO3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H25NO5/c1-19-16-24(30-23-15-9-8-14-22(19)23)25-17-26(34-28(31)20-10-4-2-5-11-20)27(18-33-25)35-29(32)21-12-6-3-7-13-21/h2-16,25-27H,17-18H2,1H3/t25-,26-,27+/m0/s1