methyl 2-[4-[(3-butyl-5-methylsulfanyl-quinolin-4-yl)oxymethyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(3-butyl-5-methylsulfanyl-quinolin-4-yl)oxymethyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(3-butyl-5-methylsulfanyl-4-quinolyl)oxymethyl]phenyl]benzoate CAS Name: 2-[4-[[3-butyl-5-(methylthio)-4-quinolinyl]oxymethyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-butyl-5-methylsulfanylquinolin-4-yl)oxymethyl]phenyl]benzoate Traditional Name: 2-[4-[[3-butyl-5-(methylthio)-4-quinolyl]oxymethyl]phenyl]benzoic acid methyl ester Formula: C29H29NO3S MolecularWeight: 471.61046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C2C=CC=C(C2=C1OCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)SC

Isomeric SMILES

CCCCC1=CN=C2C=CC=C(C2=C1OCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)SC

InChI

InChI=1S/C29H29NO3S/c1-4-5-9-22-18-30-25-12-8-13-26(34-3)27(25)28(22)33-19-20-14-16-21(17-15-20)23-10-6-7-11-24(23)29(31)32-2/h6-8,10-18H,4-5,9,19H2,1-3H3