[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-3-[(phenylmethyl)amino]decanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-3-[(phenylmethyl)amino]decanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3S)-3-(benzylamino)decanoate CAS Name: (3S)-3-[(phenylmethyl)amino]decanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3S)-3-(benzylamino)decanoate Traditional Name: (3S)-3-(benzylamino)capric acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C27H45NO2 MolecularWeight: 415.6517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(=O)OC1CC(CCC1C(C)C)C)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCCC[C@@H](CC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)NCC2=CC=CC=C2

InChI

InChI=1S/C27H45NO2/c1-5-6-7-8-12-15-24(28-20-23-13-10-9-11-14-23)19-27(29)30-26-18-22(4)16-17-25(26)21(2)3/h9-11,13-14,21-22,24-26,28H,5-8,12,15-20H2,1-4H3/t22-,24+,25+,26-/m1/s1