ethyl 4-[(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)amino]-4-oxo-butanoate CAS Name: 4-[(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)amino]butyric acid ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C)N(C2=O)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C)N(C2=O)C

InChI

InChI=1S/C21H22N2O5/c1-4-27-20(25)10-9-19(24)22-14-6-8-17-15(12-14)21(26)23(3)16-11-13(2)5-7-18(16)28-17/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,24)