pyridin-2-ylmethyl (3aS)-1,5-bis(oxidanylidene)-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

Systemtic Name: pyridin-2-ylmethyl (3aS)-1,5-bis(oxidanylidene)-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate Openeye Name: 2-pyridylmethyl (3aS)-4-isopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate CAS Name: (3aS)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl (3aS)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate Traditional Name: (3aS)-4-isopropyl-1,5-diketo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid 2-pyridylmethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)OCC4=CC=CC=N4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C21H21N3O4/c1-14(2)23-19(26)16-8-3-4-9-17(16)24-18(25)10-11-21(23,24)20(27)28-13-15-7-5-6-12-22-15/h3-9,12,14H,10-11,13H2,1-2H3/t21-/m0/s1