methyl (4S,4aS,7aS)-4-phenyl-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-2-carboxylate

Systemtic Name: methyl (4S,4aS,7aS)-4-phenyl-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-2-carboxylate Openeye Name: methyl (4S,4aS,7aS)-4-phenyl-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-2-carboxylate CAS Name: (4S,4aS,7aS)-4-phenyl-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-2-carboxylic acid methyl ester IUPAC Name: methyl (4S,4aS,7aS)-4-phenyl-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-2-carboxylate Traditional Name: (4S,4aS,7aS)-4-phenyl-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-2-carboxylic acid methyl ester Formula: C16H16O3 MolecularWeight: 256.29644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C2CC=CC2O1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C[C@H]([C@@H]2CC=C[C@@H]2O1)C3=CC=CC=C3

InChI

InChI=1S/C16H16O3/c1-18-16(17)15-10-13(11-6-3-2-4-7-11)12-8-5-9-14(12)19-15/h2-7,9-10,12-14H,8H2,1H3/t12-,13-,14-/m0/s1