ethyl 4-[(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)amino]-4-oxo-butanoate CAS Name: 4-[(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)amino]butyric acid ethyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)CCC(=O)OCC)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)CCC(=O)OCC)OCC(C1=O)(C)C

InChI

InChI=1S/C20H28N2O5/c1-5-11-22-15-8-7-14(21-17(23)9-10-18(24)26-6-2)12-16(15)27-13-20(3,4)19(22)25/h7-8,12H,5-6,9-11,13H2,1-4H3,(H,21,23)