3-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 3-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]cyclohexane-1-carboxylic acid Openeye Name: 3-phenyl-1-[4-(2-quinolylmethoxy)phenyl]cyclohexanecarboxylic acid CAS Name: 3-phenyl-1-[4-(2-quinolinylmethoxy)phenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]cyclohexane-1-carboxylic acid Traditional Name: 3-phenyl-1-[4-(2-quinolylmethoxy)phenyl]cyclohexanecarboxylic acid Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CC(CC(C1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H27NO3/c31-28(32)29(18-6-10-23(19-29)21-7-2-1-3-8-21)24-13-16-26(17-14-24)33-20-25-15-12-22-9-4-5-11-27(22)30-25/h1-5,7-9,11-17,23H,6,10,18-20H2,(H,31,32)