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

Systemtic Name: 2-methylpropyl 2-[1-(1H-imidazol-5-ylmethoxy)-2-quinolin-2-yl-ethyl]-6-methyl-benzoate Openeye Name: isobutyl 2-[1-(1H-imidazol-5-ylmethoxy)-2-(2-quinolyl)ethyl]-6-methyl-benzoate CAS Name: 2-[1-(1H-imidazol-5-ylmethoxy)-2-(2-quinolinyl)ethyl]-6-methylbenzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[1-(1H-imidazol-5-ylmethoxy)-2-quinolin-2-ylethyl]-6-methylbenzoate Traditional Name: 2-[1-(1H-imidazol-5-ylmethoxy)-2-(2-quinolyl)ethyl]-6-methyl-benzoic acid isobutyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3/c1-18(2)15-33-27(31)26-19(3)7-6-9-23(26)25(32-16-22-14-28-17-29-22)13-21-12-11-20-8-4-5-10-24(20)30-21/h4-12,14,17-18,25H,13,15-16H2,1-3H3,(H,28,29)