methyl (4S,5R)-5-methanoyl-6-methyl-2-oxidanylidene-4-phenyl-heptanoate

Systemtic Name: methyl (4S,5R)-5-methanoyl-6-methyl-2-oxidanylidene-4-phenyl-heptanoate Openeye Name: methyl (4S,5R)-5-formyl-6-methyl-2-oxo-4-phenyl-heptanoate CAS Name: (4S,5R)-5-formyl-6-methyl-2-oxo-4-phenylheptanoic acid methyl ester IUPAC Name: methyl (4S,5R)-5-formyl-6-methyl-2-oxo-4-phenylheptanoate Traditional Name: (4S,5R)-5-formyl-2-keto-6-methyl-4-phenyl-enanthic acid methyl ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=O)C(CC(=O)C(=O)OC)C1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C=O)[C@H](CC(=O)C(=O)OC)C1=CC=CC=C1

InChI

InChI=1S/C16H20O4/c1-11(2)14(10-17)13(9-15(18)16(19)20-3)12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3/t13-,14-/m1/s1