[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (1S)-3-oxidanylidene-1-prop-2-ynyl-1H-isoindole-2-carboxylate

Systemtic Name: [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (1S)-3-oxidanylidene-1-prop-2-ynyl-1H-isoindole-2-carboxylate Openeye Name: [(1S,2R)-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (3S)-1-oxo-3-prop-2-ynyl-isoindoline-2-carboxylate CAS Name: (1S)-3-oxo-1-prop-2-ynyl-1H-isoindole-2-carboxylic acid [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (1S)-3-oxo-1-prop-2-ynyl-1H-isoindole-2-carboxylate Traditional Name: (3S)-1-keto-3-propargyl-isoindoline-2-carboxylic acid [(1S,2R)-2-cumylcyclohexyl] ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCCC1OC(=O)N2C(C3=CC=CC=C3C2=O)CC#C)C4=CC=CC=C4

Isomeric SMILES

CC(C)([C@H]1CCCC[C@@H]1OC(=O)N2[C@H](C3=CC=CC=C3C2=O)CC#C)C4=CC=CC=C4

InChI

InChI=1S/C27H29NO3/c1-4-12-23-20-15-8-9-16-21(20)25(29)28(23)26(30)31-24-18-11-10-17-22(24)27(2,3)19-13-6-5-7-14-19/h1,5-9,13-16,22-24H,10-12,17-18H2,2-3H3/t22-,23-,24-/m0/s1