2-[1-(1H-imidazol-5-ylmethoxy)-2-quinolin-2-yl-ethyl]-6-methyl-benzoic acid

Systemtic Name: 2-[1-(1H-imidazol-5-ylmethoxy)-2-quinolin-2-yl-ethyl]-6-methyl-benzoic acid Openeye Name: 2-[1-(1H-imidazol-5-ylmethoxy)-2-(2-quinolyl)ethyl]-6-methyl-benzoic acid CAS Name: 2-[1-(1H-imidazol-5-ylmethoxy)-2-(2-quinolinyl)ethyl]-6-methylbenzoic acid IUPAC Name: 2-[1-(1H-imidazol-5-ylmethoxy)-2-quinolin-2-ylethyl]-6-methylbenzoic acid Traditional Name: 2-[1-(1H-imidazol-5-ylmethoxy)-2-(2-quinolyl)ethyl]-6-methyl-benzoic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(CC2=NC3=CC=CC=C3C=C2)OCC4=CN=CN4)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(CC2=NC3=CC=CC=C3C=C2)OCC4=CN=CN4)C(=O)O

InChI

InChI=1S/C23H21N3O3/c1-15-5-4-7-19(22(15)23(27)28)21(29-13-18-12-24-14-25-18)11-17-10-9-16-6-2-3-8-20(16)26-17/h2-10,12,14,21H,11,13H2,1H3,(H,24,25)(H,27,28)