4,4-dimethyl-3-phenyl-pentanoic acid; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methanol

Systemtic Name: 4,4-dimethyl-3-phenyl-pentanoic acid; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methanol Openeye Name: 4,4-dimethyl-3-phenyl-pentanoic acid; 4-quinolyl-(5-vinylquinuclidin-2-yl)methanol CAS Name: 4,4-dimethyl-3-phenylpentanoic acid; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methanol IUPAC Name: 4,4-dimethyl-3-phenylpentanoic acid; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol Traditional Name: 4,4-dimethyl-3-phenyl-valeric acid; 4-quinolyl-(5-vinylquinuclidin-2-yl)methanol Formula: C32H40N2O3 MolecularWeight: 500.6716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=O)O)C1=CC=CC=C1.C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O

Isomeric SMILES

CC(C)(C)C(CC(=O)O)C1=CC=CC=C1.C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O

InChI

InChI=1S/C19H22N2O.C13H18O2/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-13(2,3)11(9-12(14)15)10-7-5-4-6-8-10/h2-7,9,13-14,18-19,22H,1,8,10-12H2;4-8,11H,9H2,1-3H3,(H,14,15)