3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H21N3O5/c1-14(25)24-13-19(29-18-10-5-4-9-17(18)24)20(26)28-12-6-11-23-16-8-3-2-7-15(16)22-21(23)27/h2-5,7-10,19H,6,11-13H2,1H3,(H,22,27)