(2-methylquinolin-8-yl) 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: (2-methylquinolin-8-yl) 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: (2-methyl-8-quinolyl) 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid (2-methyl-8-quinolyl) ester Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)C(C)(C)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)C(C)(C)C)C=C1

InChI

InChI=1S/C28H27NO3/c1-19-8-11-21-6-5-7-25(26(21)29-19)32-27(30)22-12-9-20(10-13-22)18-31-24-16-14-23(15-17-24)28(2,3)4/h5-17H,18H2,1-4H3