phenacyl (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: phenacyl (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: phenacyl (3S)-1-[2-[(1S)-1-methylpropyl]phenyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-3-pyrrolidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[2-[(1S)-1-methylpropyl]phenyl]pyrrolidine-3-carboxylic acid phenacyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO4/c1-3-16(2)19-11-7-8-12-20(19)24-14-18(13-22(24)26)23(27)28-15-21(25)17-9-5-4-6-10-17/h4-12,16,18H,3,13-15H2,1-2H3/t16-,18-/m0/s1