phenacyl (3S)-1-[(4-tert-butylphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: phenacyl (3S)-1-[(4-tert-butylphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: phenacyl (3S)-1-[(4-tert-butylbenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[[(4-tert-butylphenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl (3S)-1-[(4-tert-butylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-[(4-tert-butylbenzoyl)amino]-5-keto-pyrrolidine-3-carboxylic acid phenacyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NN2CC(CC2=O)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NN2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O5/c1-24(2,3)19-11-9-17(10-12-19)22(29)25-26-14-18(13-21(26)28)23(30)31-15-20(27)16-7-5-4-6-8-16/h4-12,18H,13-15H2,1-3H3,(H,25,29)/t18-/m0/s1