[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-methyl-1H-isoquinoline-2-carboxylate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-methyl-1H-isoquinoline-2-carboxylate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 4-methyl-1H-isoquinoline-2-carboxylate CAS Name: 4-methyl-1H-isoquinoline-2-carboxylic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-methyl-1H-isoquinoline-2-carboxylate Traditional Name: 4-methyl-1H-isoquinoline-2-carboxylic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CC3=CC=CC=C3C(=C2)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N2CC3=CC=CC=C3C(=C2)C)C(C)C

InChI

InChI=1S/C21H29NO2/c1-14(2)18-10-9-15(3)11-20(18)24-21(23)22-12-16(4)19-8-6-5-7-17(19)13-22/h5-8,12,14-15,18,20H,9-11,13H2,1-4H3/t15-,18+,20-/m0/s1