[1-[1-(2-chlorophenyl)cyclobutyl]-6-fluoranyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] decanoate

Systemtic Name: [1-[1-(2-chlorophenyl)cyclobutyl]-6-fluoranyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] decanoate Openeye Name: [1-[1-(2-chlorophenyl)cyclobutyl]-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] decanoate CAS Name: decanoic acid [1-[1-(2-chlorophenyl)cyclobutyl]-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [1-[1-(2-chlorophenyl)cyclobutyl]-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] decanoate Traditional Name: capric acid [1-[1-(2-chlorophenyl)cyclobutyl]-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C30H39ClFNO2 MolecularWeight: 500.087563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C=C2CCN(C(C2=C1)C3(CCC3)C4=CC=CC=C4Cl)C)F

Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C=C2CCN(C(C2=C1)C3(CCC3)C4=CC=CC=C4Cl)C)F

InChI

InChI=1S/C30H39ClFNO2/c1-3-4-5-6-7-8-9-15-28(34)35-27-21-23-22(20-26(27)32)16-19-33(2)29(23)30(17-12-18-30)24-13-10-11-14-25(24)31/h10-11,13-14,20-21,29H,3-9,12,15-19H2,1-2H3