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

Systemtic Name: ethyl 4-[[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)amino]-4-oxo-butanoate CAS Name: 4-[[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]amino]-4-oxobutanoate Traditional Name: 4-[(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)amino]-4-keto-butyric acid ethyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5/c1-6-27-19(25)10-9-18(24)22-15-7-8-17-16(11-15)23(12-14(2)3)20(26)21(4,5)13-28-17/h7-8,11,14H,6,9-10,12-13H2,1-5H3,(H,22,24)