methyl 5-bromanyl-2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 5-bromo-2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 5-bromo-2-[[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 5-bromo-2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid methyl ester Formula: C21H19BrN2O6 MolecularWeight: 475.28936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)NC(=O)[C@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H19BrN2O6/c1-28-21(27)15-9-13(22)2-4-16(15)23-20(26)12-8-19(25)24(11-12)14-3-5-17-18(10-14)30-7-6-29-17/h2-5,9-10,12H,6-8,11H2,1H3,(H,23,26)/t12-/m0/s1