O1-methyl O2-(phenylmethyl) (1R,2S,3R)-3-methylcyclohexane-1,2-dicarboxylate

Systemtic Name: O1-methyl O2-(phenylmethyl) (1R,2S,3R)-3-methylcyclohexane-1,2-dicarboxylate Openeye Name: O2-benzyl O1-methyl (1R,2S,3R)-3-methylcyclohexane-1,2-dicarboxylate CAS Name: (1R,2S,3R)-3-methylcyclohexane-1,2-dicarboxylic acid O1-methyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-methyl (1R,2S,3R)-3-methylcyclohexane-1,2-dicarboxylate Traditional Name: (1R,2S,3R)-3-methylcyclohexane-1,2-dicarboxylic acid O2-benzyl ester O1-methyl ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C[C@@H]1CCC[C@H]([C@H]1C(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H22O4/c1-12-7-6-10-14(16(18)20-2)15(12)17(19)21-11-13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3/t12-,14-,15+/m1/s1