quinolin-3-ylmethyl 5-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoyl]-2,3-dihydropyrrole-1-carboxylate

Systemtic Name: quinolin-3-ylmethyl 5-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoyl]-2,3-dihydropyrrole-1-carboxylate Openeye Name: 3-quinolylmethyl 5-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylcarbamoyl]-2,3-dihydropyrrole-1-carboxylate CAS Name: 5-[[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-oxomethyl]-2,3-dihydropyrrole-1-carboxylic acid 3-quinolinylmethyl ester IUPAC Name: quinolin-3-ylmethyl 5-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoyl]-2,3-dihydropyrrole-1-carboxylate Traditional Name: 2-[(3-bromo-2-isoxazolin-5-yl)methylcarbamoyl]-2-pyrroline-1-carboxylic acid 3-quinolylmethyl ester Formula: C20H19BrN4O4 MolecularWeight: 459.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=C1)C(=O)NCC2CC(=NO2)Br)C(=O)OCC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(C(=C1)C(=O)NCC2CC(=NO2)Br)C(=O)OCC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H19BrN4O4/c21-18-9-15(29-24-18)11-23-19(26)17-6-3-7-25(17)20(27)28-12-13-8-14-4-1-2-5-16(14)22-10-13/h1-2,4-6,8,10,15H,3,7,9,11-12H2,(H,23,26)