propyl 4-[[(3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[(3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[(3S)-1-(2,6-diethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(2,6-diethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[(3S)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(2,6-diethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid propyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=C(C=CC=C3CC)CC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)C3=C(C=CC=C3CC)CC

InChI

InChI=1S/C25H30N2O4/c1-4-14-31-25(30)19-10-12-21(13-11-19)26-24(29)20-15-22(28)27(16-20)23-17(5-2)8-7-9-18(23)6-3/h7-13,20H,4-6,14-16H2,1-3H3,(H,26,29)/t20-/m0/s1