phenyl N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]carbamate

Systemtic Name: phenyl N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]carbamate Openeye Name: phenyl N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)carbamate CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]carbamic acid phenyl ester IUPAC Name: phenyl N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]carbamate Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)carbamic acid phenyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)OC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)OC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C22H26N2O4/c1-15(2)13-24-18-12-16(23-21(26)28-17-8-6-5-7-9-17)10-11-19(18)27-14-22(3,4)20(24)25/h5-12,15H,13-14H2,1-4H3,(H,23,26)