2-[5-(2-methylphenyl)-1-(2-methylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanal

Systemtic Name: 2-[5-(2-methylphenyl)-1-(2-methylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanal Openeye Name: 2-[1-isobutyl-5-(o-tolyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetaldehyde CAS Name: 2-[5-(2-methylphenyl)-1-(2-methylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetaldehyde IUPAC Name: 2-[5-(2-methylphenyl)-1-(2-methylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetaldehyde Traditional Name: 2-[1-isobutyl-2-keto-5-(o-tolyl)-5H-4,1-benzoxazepin-3-yl]acetaldehyde Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=CC=CC=C3N(C(=O)C(O2)CC=O)CC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2C3=CC=CC=C3N(C(=O)C(O2)CC=O)CC(C)C

InChI

InChI=1S/C22H25NO3/c1-15(2)14-23-19-11-7-6-10-18(19)21(17-9-5-4-8-16(17)3)26-20(12-13-24)22(23)25/h4-11,13,15,20-21H,12,14H2,1-3H3