(phenylmethyl) (2S,3R)-3-methyl-2,3,6,7-tetrahydrooxepine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,3R)-3-methyl-2,3,6,7-tetrahydrooxepine-2-carboxylate Openeye Name: benzyl (2S,3R)-3-methyl-2,3,6,7-tetrahydrooxepine-2-carboxylate CAS Name: (2S,3R)-3-methyl-2,3,6,7-tetrahydrooxepin-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-methyl-2,3,6,7-tetrahydrooxepine-2-carboxylate Traditional Name: (2S,3R)-3-methyl-2,3,6,7-tetrahydrooxepin-2-carboxylic acid benzyl ester Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCCOC1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H18O3/c1-12-7-5-6-10-17-14(12)15(16)18-11-13-8-3-2-4-9-13/h2-5,7-9,12,14H,6,10-11H2,1H3/t12-,14+/m1/s1