ethyl 3-(4-oxidanylidene-4-phenylmethoxy-butyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 3-(4-oxidanylidene-4-phenylmethoxy-butyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 3-(4-benzyloxy-4-oxo-butyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate CAS Name: 3-(4-oxo-4-phenylmethoxybutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-oxo-4-phenylmethoxybutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate Traditional Name: 3-(4-benzoxy-4-keto-butyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC2=CC=CC=C2O1)CCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(NC2=CC=CC=C2O1)CCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO5/c1-2-26-22(25)21-18(23-17-11-6-7-13-19(17)28-21)12-8-14-20(24)27-15-16-9-4-3-5-10-16/h3-7,9-11,13,18,21,23H,2,8,12,14-15H2,1H3