methyl (4S,4aR,8aS)-8a-methoxy-4-phenyl-4,4a,5,6,7,8-hexahydrochromene-2-carboxylate

Systemtic Name: methyl (4S,4aR,8aS)-8a-methoxy-4-phenyl-4,4a,5,6,7,8-hexahydrochromene-2-carboxylate Openeye Name: methyl (4S,4aR,8aS)-8a-methoxy-4-phenyl-4,4a,5,6,7,8-hexahydrochromene-2-carboxylate CAS Name: (4S,4aR,8aS)-8a-methoxy-4-phenyl-4,4a,5,6,7,8-hexahydro-1-benzopyran-2-carboxylic acid methyl ester IUPAC Name: methyl (4S,4aR,8aS)-8a-methoxy-4-phenyl-4,4a,5,6,7,8-hexahydrochromene-2-carboxylate Traditional Name: (4S,4aR,8aS)-8a-methoxy-4-phenyl-4,4a,5,6,7,8-hexahydrochromene-2-carboxylic acid methyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C2CCCCC2(O1)OC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H22O4/c1-20-17(19)16-12-14(13-8-4-3-5-9-13)15-10-6-7-11-18(15,21-2)22-16/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3/t14-,15-,18+/m1/s1