3-[(2S,4S)-8-methyl-4-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propanoic acid

Systemtic Name: 3-[(2S,4S)-8-methyl-4-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propanoic acid Openeye Name: 3-[(2S,4S)-8-methyl-4-(p-tolyl)-8-azabicyclo[3.2.1]octan-2-yl]propanoic acid CAS Name: 3-[(2S,4S)-8-methyl-4-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propanoic acid IUPAC Name: 3-[(2S,4S)-8-methyl-4-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propanoic acid Traditional Name: 3-[(2S,4S)-8-methyl-4-(p-tolyl)-8-azabicyclo[3.2.1]octan-2-yl]propionic acid Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(C3CCC2N3C)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C[C@@H](C3CCC2N3C)CCC(=O)O

InChI

InChI=1S/C18H25NO2/c1-12-3-5-13(6-4-12)15-11-14(7-10-18(20)21)16-8-9-17(15)19(16)2/h3-6,14-17H,7-11H2,1-2H3,(H,20,21)/t14-,15-,16?,17?/m0/s1