methyl 2-[4-[(3-butylquinolin-4-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(3-butylquinolin-4-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(3-butyl-4-quinolyl)methyl]phenyl]benzoate CAS Name: 2-[4-[(3-butyl-4-quinolinyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-butylquinolin-4-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-butyl-4-quinolyl)methyl]phenyl]benzoic acid methyl ester Formula: C28H27NO2 MolecularWeight: 409.51948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C28H27NO2/c1-3-4-9-22-19-29-27-13-8-7-11-24(27)26(22)18-20-14-16-21(17-15-20)23-10-5-6-12-25(23)28(30)31-2/h5-8,10-17,19H,3-4,9,18H2,1-2H3