[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H29NO2 MolecularWeight: 315.44976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CC3=CC=CC=C3CN2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2CC3=CC=CC=C3CN2)C(C)C

InChI

InChI=1S/C20H29NO2/c1-13(2)17-9-8-14(3)10-19(17)23-20(22)18-11-15-6-4-5-7-16(15)12-21-18/h4-7,13-14,17-19,21H,8-12H2,1-3H3/t14-,17+,18+,19-/m1/s1