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

Systemtic Name: methyl 2-[4-[(2-butylquinolin-4-yl)oxymethyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(2-butyl-4-quinolyl)oxymethyl]phenyl]benzoate CAS Name: 2-[4-[(2-butyl-4-quinolinyl)oxymethyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-butylquinolin-4-yl)oxymethyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-4-quinolyl)oxymethyl]phenyl]benzoic acid methyl ester Formula: C28H27NO3 MolecularWeight: 425.51888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1)OCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1)OCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

InChI

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