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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C[C@H](CC2=O)C(=O)OC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C28H29NO3/c1-20(21-10-6-4-7-11-21)29-19-22(18-26(29)30)27(31)32-25-16-14-24(15-17-25)28(2,3)23-12-8-5-9-13-23/h4-17,20,22H,18-19H2,1-3H3/t20-,22+/m1/s1