1-azabicyclo[2.2.2]octan-3-yl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: quinuclidin-3-yl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid quinuclidin-3-yl ester Formula: C24H23NO4 MolecularWeight: 389.44372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC3CN4CCC3CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC3CN4CCC3CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H23NO4/c1-15-21(26)18-8-5-9-19(23(18)29-22(15)17-6-3-2-4-7-17)24(27)28-20-14-25-12-10-16(20)11-13-25/h2-9,16,20H,10-14H2,1H3