[2-(1-adamantyl)-2-oxidanylidene-ethyl] (3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (3S)-1-(2-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31NO4/c1-2-19-5-3-4-6-21(19)26-14-20(10-23(26)28)24(29)30-15-22(27)25-11-16-7-17(12-25)9-18(8-16)13-25/h3-6,16-18,20H,2,7-15H2,1H3/t16?,17?,18?,20-,25?/m0/s1