4-[[(3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: 4-[[(3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: 4-[[(3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(5-chloro-2-methoxy-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoate Formula: C19H16ClN2O5- MolecularWeight: 387.79374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C[C@H](CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H17ClN2O5/c1-27-16-7-4-13(20)9-15(16)22-10-12(8-17(22)23)18(24)21-14-5-2-11(3-6-14)19(25)26/h2-7,9,12H,8,10H2,1H3,(H,21,24)(H,25,26)/p-1/t12-/m0/s1