(4-tert-butylphenyl) (3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-tert-butylphenyl) (3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-tert-butylphenyl) (3S)-1-(2,6-diethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,6-diethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) (3S)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,6-diethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-tert-butylphenyl) ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C[C@H](CC2=O)C(=O)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H31NO3/c1-6-17-9-8-10-18(7-2)23(17)26-16-19(15-22(26)27)24(28)29-21-13-11-20(12-14-21)25(3,4)5/h8-14,19H,6-7,15-16H2,1-5H3/t19-/m0/s1