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

Systemtic Name: ethyl 4-[[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)amino]-4-oxo-butanoate CAS Name: 4-[[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]amino]-4-oxobutanoate Traditional Name: 4-[(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)amino]-4-keto-butyric acid ethyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CCC(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CCC(C)C

InChI

InChI=1S/C22H32N2O5/c1-6-28-20(26)10-9-19(25)23-16-7-8-17-18(13-16)29-14-22(4,5)21(27)24(17)12-11-15(2)3/h7-8,13,15H,6,9-12,14H2,1-5H3,(H,23,25)