(1S,2R,3S,4R)-2-[2-(3-methoxycarbonylphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid

Systemtic Name: (1S,2R,3S,4R)-2-[2-(3-methoxycarbonylphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Openeye Name: (1S,2R,3S,4R)-2-[2-(3-methoxycarbonylphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid CAS Name: (1S,2R,3S,4R)-2-[2-(3-methoxycarbonylphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid IUPAC Name: (1S,2R,3S,4R)-2-[2-(3-methoxycarbonylphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Traditional Name: (1S,2R,3S,4R)-2-[2-(3-carbomethoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Formula: C17H20O5 MolecularWeight: 304.3377

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CCC2C3CCC(C2C(=O)O)O3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)O3

InChI

InChI=1S/C17H20O5/c1-21-17(20)11-4-2-3-10(9-11)5-6-12-13-7-8-14(22-13)15(12)16(18)19/h2-4,9,12-15H,5-8H2,1H3,(H,18,19)/t12-,13-,14+,15-/m0/s1