[2-methyl-4-(1-oxidanylcyclohexyl)-3,4-dihydro-1H-isoquinolin-7-yl] 2,4-dimethoxybenzoate

Systemtic Name: [2-methyl-4-(1-oxidanylcyclohexyl)-3,4-dihydro-1H-isoquinolin-7-yl] 2,4-dimethoxybenzoate Openeye Name: [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] 2,4-dimethoxybenzoate CAS Name: 2,4-dimethoxybenzoic acid [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] 2,4-dimethoxybenzoate Traditional Name: 2,4-dimethoxybenzoic acid [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C=C(C=C2)OC(=O)C3=C(C=C(C=C3)OC)OC)C4(CCCCC4)O

Isomeric SMILES

CN1CC(C2=C(C1)C=C(C=C2)OC(=O)C3=C(C=C(C=C3)OC)OC)C4(CCCCC4)O

InChI

InChI=1S/C25H31NO5/c1-26-15-17-13-19(31-24(27)21-10-7-18(29-2)14-23(21)30-3)8-9-20(17)22(16-26)25(28)11-5-4-6-12-25/h7-10,13-14,22,28H,4-6,11-12,15-16H2,1-3H3