[(3S)-4,4-dimethyl-2-oxidanylidene-1-phenyl-pyrrolidin-3-yl] (2S)-2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: [(3S)-4,4-dimethyl-2-oxidanylidene-1-phenyl-pyrrolidin-3-yl] (2S)-2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: [(3S)-4,4-dimethyl-2-oxo-1-phenyl-pyrrolidin-3-yl] (2S)-2-(4-isobutylphenyl)propanoate CAS Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid [(3S)-4,4-dimethyl-2-oxo-1-phenyl-3-pyrrolidinyl] ester IUPAC Name: [(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl] (2S)-2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: (2S)-2-(4-isobutylphenyl)propionic acid [(3S)-2-keto-4,4-dimethyl-1-phenyl-pyrrolidin-3-yl] ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2C(=O)N(CC2(C)C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O[C@@H]2C(=O)N(CC2(C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO3/c1-17(2)15-19-11-13-20(14-12-19)18(3)24(28)29-22-23(27)26(16-25(22,4)5)21-9-7-6-8-10-21/h6-14,17-18,22H,15-16H2,1-5H3/t18-,22+/m0/s1