phenyl 4-(3-azabicyclo[2.2.2]octan-3-yl)-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: phenyl 4-(3-azabicyclo[2.2.2]octan-3-yl)-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: phenyl 4-(3-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-4-oxo-butanoate CAS Name: 4-(3-azabicyclo[2.2.2]octan-3-yl)-4-oxo-2-(phenylmethyl)butanoic acid phenyl ester IUPAC Name: phenyl 4-(3-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-4-oxobutanoate Traditional Name: 4-(3-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-4-keto-butyric acid phenyl ester Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1CN2C(=O)CC(CC3=CC=CC=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CC2CCC1CN2C(=O)CC(CC3=CC=CC=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H27NO3/c26-23(25-17-19-11-13-21(25)14-12-19)16-20(15-18-7-3-1-4-8-18)24(27)28-22-9-5-2-6-10-22/h1-10,19-21H,11-17H2