phenyl N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]carbamate

Systemtic Name: phenyl N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]carbamate Openeye Name: phenyl N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)carbamate CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]carbamic acid phenyl ester IUPAC Name: phenyl N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]carbamate Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)carbamic acid phenyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)OC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)OC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C23H28N2O4/c1-16(2)12-13-25-19-11-10-17(14-20(19)28-15-23(3,4)21(25)26)24-22(27)29-18-8-6-5-7-9-18/h5-11,14,16H,12-13,15H2,1-4H3,(H,24,27)