[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] (3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] (3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] (3S)-1-(2,6-diethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,6-diethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] (3S)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,6-diethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2CC(CC2=O)C(=O)OCC(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C25H29NO4/c1-5-18-8-7-9-19(6-2)24(18)26-14-21(13-23(26)28)25(29)30-15-22(27)20-11-10-16(3)17(4)12-20/h7-12,21H,5-6,13-15H2,1-4H3/t21-/m0/s1