(phenylmethyl) N-[3-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-5-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-5-yl]carbamate Openeye Name: benzyl N-[3-[2-(cyclohexylmethylamino)-2-oxo-ethyl]-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-5-yl]carbamate CAS Name: N-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-5-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-5-yl]carbamate Traditional Name: N-[3-[2-(cyclohexylmethylamino)-2-keto-ethyl]-2-keto-1-neopentyl-5H-4,1-benzoxazepin-5-yl]carbamic acid benzyl ester Formula: C31H41N3O5 MolecularWeight: 535.67434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=CC=CC=C2C(OC(C1=O)CC(=O)NCC3CCCCC3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)CN1C2=CC=CC=C2C(OC(C1=O)CC(=O)NCC3CCCCC3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H41N3O5/c1-31(2,3)21-34-25-17-11-10-16-24(25)28(33-30(37)38-20-23-14-8-5-9-15-23)39-26(29(34)36)18-27(35)32-19-22-12-6-4-7-13-22/h5,8-11,14-17,22,26,28H,4,6-7,12-13,18-21H2,1-3H3,(H,32,35)(H,33,37)