[2-[(2R)-butan-2-yl]phenyl] (3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(2R)-butan-2-yl]phenyl] (3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[(1R)-1-methylpropyl]phenyl] (3S)-1-(2,6-diethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,6-diethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[(2R)-butan-2-yl]phenyl] ester IUPAC Name: [2-[(2R)-butan-2-yl]phenyl] (3S)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,6-diethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-[(1R)-1-methylpropyl]phenyl] 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=CC=C3C(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO3/c1-5-17(4)21-13-8-9-14-22(21)29-25(28)20-15-23(27)26(16-20)24-18(6-2)11-10-12-19(24)7-3/h8-14,17,20H,5-7,15-16H2,1-4H3/t17-,20+/m1/s1