methyl (2S,3R,3aS)-3-methoxy-3-phenyl-3a,4,5,6-tetrahydro-2H-pentalene-2-carboxylate

Systemtic Name: methyl (2S,3R,3aS)-3-methoxy-3-phenyl-3a,4,5,6-tetrahydro-2H-pentalene-2-carboxylate Openeye Name: methyl (2S,3R,3aS)-3-methoxy-3-phenyl-3a,4,5,6-tetrahydro-2H-pentalene-2-carboxylate CAS Name: (2S,3R,3aS)-3-methoxy-3-phenyl-3a,4,5,6-tetrahydro-2H-pentalene-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R,3aS)-3-methoxy-3-phenyl-3a,4,5,6-tetrahydro-2H-pentalene-2-carboxylate Traditional Name: (2S,3R,3aS)-3-methoxy-3-phenyl-3a,4,5,6-tetrahydro-2H-pentalene-2-carboxylic acid methyl ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=C2CCCC2C1(C3=CC=CC=C3)OC

Isomeric SMILES

COC(=O)[C@H]1C=C2CCC[C@@H]2[C@@]1(C3=CC=CC=C3)OC

InChI

InChI=1S/C17H20O3/c1-19-16(18)15-11-12-7-6-10-14(12)17(15,20-2)13-8-4-3-5-9-13/h3-5,8-9,11,14-15H,6-7,10H2,1-2H3/t14-,15+,17+/m0/s1