(1-isoquinolin-1-yl-2,2-dimethyl-propyl) 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoate

Systemtic Name: (1-isoquinolin-1-yl-2,2-dimethyl-propyl) 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoate Openeye Name: [1-(1-isoquinolyl)-2,2-dimethyl-propyl] 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetate CAS Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid [1-(1-isoquinolinyl)-2,2-dimethylpropyl] ester IUPAC Name: (1-isoquinolin-1-yl-2,2-dimethylpropyl) 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate Traditional Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetic acid [1-(1-isoquinolyl)-2,2-dimethyl-propyl] ester Formula: C26H37NO3 MolecularWeight: 411.57688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(=O)OC(C2=NC=CC3=CC=CC=C32)C(C)(C)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)OC(C2=NC=CC3=CC=CC=C32)C(C)(C)C)C(C)C

InChI

InChI=1S/C26H37NO3/c1-17(2)20-12-11-18(3)15-22(20)29-16-23(28)30-25(26(4,5)6)24-21-10-8-7-9-19(21)13-14-27-24/h7-10,13-14,17-18,20,22,25H,11-12,15-16H2,1-6H3/t18-,20+,22-,25?/m0/s1