propan-2-yl (3S)-3-(4-chlorophenyl)-6-methyl-6-azabicyclo[3.2.2]nonane-4-carboxylate

Systemtic Name: propan-2-yl (3S)-3-(4-chlorophenyl)-6-methyl-6-azabicyclo[3.2.2]nonane-4-carboxylate Openeye Name: isopropyl (3S)-3-(4-chlorophenyl)-6-methyl-6-azabicyclo[3.2.2]nonane-4-carboxylate CAS Name: (3S)-3-(4-chlorophenyl)-6-methyl-6-azabicyclo[3.2.2]nonane-4-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(4-chlorophenyl)-6-methyl-6-azabicyclo[3.2.2]nonane-4-carboxylate Traditional Name: (3S)-3-(4-chlorophenyl)-6-methyl-6-azabicyclo[3.2.2]nonane-4-carboxylic acid isopropyl ester Formula: C19H26ClNO2 MolecularWeight: 335.86824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C2CCC(CC1C3=CC=C(C=C3)Cl)CN2C

Isomeric SMILES

CC(C)OC(=O)C1[C@H](CC2CCC1N(C2)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H26ClNO2/c1-12(2)23-19(22)18-16(14-5-7-15(20)8-6-14)10-13-4-9-17(18)21(3)11-13/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t13?,16-,17?,18?/m1/s1