3-[[(3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: 3-[[(3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: 3-[[(3S)-1-(2,6-diethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 3-[[[(3S)-1-(2,6-diethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[(3S)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 3-[[(3S)-1-(2,6-diethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoate Formula: C22H23N2O4- MolecularWeight: 379.42902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C[C@H](CC2=O)C(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C22H24N2O4/c1-3-14-7-5-8-15(4-2)20(14)24-13-17(12-19(24)25)21(26)23-18-10-6-9-16(11-18)22(27)28/h5-11,17H,3-4,12-13H2,1-2H3,(H,23,26)(H,27,28)/p-1/t17-/m0/s1