2-[7-chloranyl-1-(2,2-dimethylpropyl)-5-(2-methoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanal

Systemtic Name: 2-[7-chloranyl-1-(2,2-dimethylpropyl)-5-(2-methoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanal Openeye Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-5-(2-methoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetaldehyde CAS Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-5-(2-methoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetaldehyde IUPAC Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-5-(2-methoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetaldehyde Traditional Name: 2-[7-chloro-2-keto-5-(2-methoxyphenyl)-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetaldehyde Formula: C23H26ClNO4 MolecularWeight: 415.90984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC=O)C3=CC=CC=C3OC

InChI

InChI=1S/C23H26ClNO4/c1-23(2,3)14-25-18-10-9-15(24)13-17(18)21(29-20(11-12-26)22(25)27)16-7-5-6-8-19(16)28-4/h5-10,12-13,20-21H,11,14H2,1-4H3