[4-(2-phenylpropan-2-yl)phenyl] (3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [4-(2-phenylpropan-2-yl)phenyl] (3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [4-(1-methyl-1-phenyl-ethyl)phenyl] (3S)-1-(2-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-(2-phenylpropan-2-yl)phenyl] ester IUPAC Name: [4-(2-phenylpropan-2-yl)phenyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-cumylphenyl) ester Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C28H29NO3/c1-4-20-10-8-9-13-25(20)29-19-21(18-26(29)30)27(31)32-24-16-14-23(15-17-24)28(2,3)22-11-6-5-7-12-22/h5-17,21H,4,18-19H2,1-3H3/t21-/m0/s1