methyl (1S,3S,4S,5R)-3-[4-(1-methylpyrrol-2-yl)phenyl]-8-oxabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1S,3S,4S,5R)-3-[4-(1-methylpyrrol-2-yl)phenyl]-8-oxabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1S,3S,4S,5R)-3-[4-(1-methylpyrrol-2-yl)phenyl]-8-oxabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1S,3S,4S,5R)-3-[4-(1-methyl-2-pyrrolyl)phenyl]-8-oxabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,3S,4S,5R)-3-[4-(1-methylpyrrol-2-yl)phenyl]-8-oxabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1S,3S,4S,5R)-3-[4-(1-methylpyrrol-2-yl)phenyl]-8-oxabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=CC=C(C=C2)C3CC4CCC(C3C(=O)OC)O4

Isomeric SMILES

CN1C=CC=C1C2=CC=C(C=C2)[C@H]3C[C@@H]4CC[C@H]([C@H]3C(=O)OC)O4

InChI

InChI=1S/C20H23NO3/c1-21-11-3-4-17(21)14-7-5-13(6-8-14)16-12-15-9-10-18(24-15)19(16)20(22)23-2/h3-8,11,15-16,18-19H,9-10,12H2,1-2H3/t15-,16+,18+,19-/m0/s1