(2S,3R)-3-azanyl-3-methyl-4-(4-methylphenyl)bicyclo[2.2.2]octane-2-carbaldehyde

Systemtic Name: (2S,3R)-3-azanyl-3-methyl-4-(4-methylphenyl)bicyclo[2.2.2]octane-2-carbaldehyde Openeye Name: (2S,3R)-3-amino-3-methyl-4-(p-tolyl)bicyclo[2.2.2]octane-2-carbaldehyde CAS Name: (2S,3R)-3-amino-3-methyl-4-(4-methylphenyl)-2-bicyclo[2.2.2]octanecarboxaldehyde IUPAC Name: (2S,3R)-3-amino-3-methyl-4-(4-methylphenyl)bicyclo[2.2.2]octane-2-carbaldehyde Traditional Name: (2S,3R)-3-amino-3-methyl-4-(p-tolyl)bicyclo[2.2.2]octane-2-carbaldehyde Formula: C17H23NO MolecularWeight: 257.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CCC(CC2)C(C3(C)N)C=O

Isomeric SMILES

CC1=CC=C(C=C1)C23CCC(CC2)[C@@H]([C@@]3(C)N)C=O

InChI

InChI=1S/C17H23NO/c1-12-3-5-14(6-4-12)17-9-7-13(8-10-17)15(11-19)16(17,2)18/h3-6,11,13,15H,7-10,18H2,1-2H3/t13?,15-,16+,17?/m0/s1