(2,5-dimethylphenyl)methyl 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate

Systemtic Name: (2,5-dimethylphenyl)methyl 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate Openeye Name: (2,5-dimethylphenyl)methyl 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid (2,5-dimethylbenzyl) ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C20H21NO4/c1-14-7-8-15(2)16(11-14)13-25-20(23)12-21-17-5-3-4-6-18(17)24-10-9-19(21)22/h3-8,11H,9-10,12-13H2,1-2H3