benzoic acid; 7-chloranyl-5-methyl-4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)quinoline

Systemtic Name: benzoic acid; 7-chloranyl-5-methyl-4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)quinoline Openeye Name: benzoic acid; 7-chloro-5-methyl-4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)quinoline CAS Name: benzoic acid; 7-chloro-5-methyl-4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)quinoline IUPAC Name: benzoic acid; 7-chloro-5-methyl-4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)quinoline Traditional Name: benzoic acid; 7-chloro-5-methyl-4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)quinoline Formula: C25H27ClN2O2 MolecularWeight: 422.94708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=NC=CC(=C12)C3CC4CCC(C3)N4C)Cl.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=CC(=CC2=NC=CC(=C12)C3CC4CCC(C3)N4C)Cl.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C18H21ClN2.C7H6O2/c1-11-7-13(19)10-17-18(11)16(5-6-20-17)12-8-14-3-4-15(9-12)21(14)2;8-7(9)6-4-2-1-3-5-6/h5-7,10,12,14-15H,3-4,8-9H2,1-2H3;1-5H,(H,8,9)