[(E,1S)-1-cyclohexyl-3-phenyl-prop-2-enyl] (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate

Systemtic Name: [(E,1S)-1-cyclohexyl-3-phenyl-prop-2-enyl] (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate Openeye Name: [(E,1S)-1-cyclohexyl-3-phenyl-allyl] (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid [(E,1S)-1-cyclohexyl-3-phenylprop-2-enyl] ester IUPAC Name: [(E,1S)-1-cyclohexyl-3-phenylprop-2-enyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carboxylic acid [(E,1S)-1-cyclohexyl-3-phenyl-allyl] ester Formula: C27H37NO4 MolecularWeight: 439.58698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OC(C=CC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](/C=C/C2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C27H37NO4/c1-4-27(2,3)24(29)25(30)28-19-11-16-22(28)26(31)32-23(21-14-9-6-10-15-21)18-17-20-12-7-5-8-13-20/h5,7-8,12-13,17-18,21-23H,4,6,9-11,14-16,19H2,1-3H3/b18-17+/t22-,23+/m0/s1