[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3,5-diacetamidobenzoate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3,5-diacetamidobenzoate Openeye Name: [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [(1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [(1S)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCCC3)NC(=O)C

InChI

InChI=1S/C23H25N3O5/c1-15(27)24-19-12-18(13-20(14-19)25-16(2)28)23(30)31-21(17-8-4-3-5-9-17)22(29)26-10-6-7-11-26/h3-5,8-9,12-14,21H,6-7,10-11H2,1-2H3,(H,24,27)(H,25,28)/t21-/m0/s1