ethyl 4-[(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)amino]-4-oxo-butanoate CAS Name: 4-[(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)amino]-4-oxobutanoate Traditional Name: 4-[(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)amino]-4-keto-butyric acid ethyl ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC2=C(C=C1)OCC(C(=O)N2CC=C)(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC2=C(C=C1)OCC(C(=O)N2CC=C)(C)C

InChI

InChI=1S/C20H26N2O5/c1-5-11-22-15-12-14(21-17(23)9-10-18(24)26-6-2)7-8-16(15)27-13-20(3,4)19(22)25/h5,7-8,12H,1,6,9-11,13H2,2-4H3,(H,21,23)