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

Systemtic Name: [1-[1-(2-chlorophenyl)cyclopropyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] heptanoate Openeye Name: [1-[1-(2-chlorophenyl)cyclopropyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] heptanoate CAS Name: heptanoic 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] heptanoate Traditional Name: enanthic acid [1-[1-(2-chlorophenyl)cyclopropyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C27H34ClNO3 MolecularWeight: 456.01676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34ClNO3/c1-4-5-6-7-12-25(30)32-24-18-20-19(17-23(24)31-3)13-16-29(2)26(20)27(14-15-27)21-10-8-9-11-22(21)28/h8-11,17-18,26H,4-7,12-16H2,1-3H3