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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

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