[1-[1-(2-chlorophenyl)cyclopropyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] hexadecanoate

Systemtic Name: [1-[1-(2-chlorophenyl)cyclopropyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] hexadecanoate Openeye Name: [1-[1-(2-chlorophenyl)cyclopropyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] hexadecanoate CAS Name: hexadecanoic acid [1-[1-(2-chlorophenyl)cyclopropyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [1-[1-(2-chlorophenyl)cyclopropyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] hexadecanoate Traditional Name: palmitic acid [1-[1-(2-chlorophenyl)cyclopropyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C36H52ClNO3 MolecularWeight: 582.25598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C2CCN(C(C2=C1)C3(CC3)C4=CC=CC=C4Cl)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C2CCN(C(C2=C1)C3(CC3)C4=CC=CC=C4Cl)C)OC

InChI

InChI=1S/C36H52ClNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-34(39)41-33-27-29-28(26-32(33)40-3)22-25-38(2)35(29)36(23-24-36)30-19-17-18-20-31(30)37/h17-20,26-27,35H,4-16,21-25H2,1-3H3