4-[(3-tert-butyl-5-ethyl-phenyl)methyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: 4-[(3-tert-butyl-5-ethyl-phenyl)methyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: 4-[(3-tert-butyl-5-ethyl-phenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: 4-[(3-tert-butyl-5-ethylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: 4-[(3-tert-butyl-5-ethylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: 4-(3-tert-butyl-5-ethyl-benzyl)-3-keto-1,4-benzoxazine-6-carbaldehyde Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C(C)(C)C)CN2C(=O)COC3=C2C=C(C=C3)C=O

Isomeric SMILES

CCC1=CC(=CC(=C1)C(C)(C)C)CN2C(=O)COC3=C2C=C(C=C3)C=O

InChI

InChI=1S/C22H25NO3/c1-5-15-8-17(10-18(9-15)22(2,3)4)12-23-19-11-16(13-24)6-7-20(19)26-14-21(23)25/h6-11,13H,5,12,14H2,1-4H3