(2R)-4-[(4-tert-butylphenyl)methyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: (2R)-4-[(4-tert-butylphenyl)methyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: (2R)-4-[(4-tert-butylphenyl)methyl]-2-ethyl-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: (2R)-4-[(4-tert-butylphenyl)methyl]-2-ethyl-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: (2R)-4-[(4-tert-butylphenyl)methyl]-2-ethyl-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: (2R)-4-(4-tert-butylbenzyl)-2-ethyl-3-keto-1,4-benzoxazine-6-carbaldehyde Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25NO3/c1-5-19-21(25)23(18-12-16(14-24)8-11-20(18)26-19)13-15-6-9-17(10-7-15)22(2,3)4/h6-12,14,19H,5,13H2,1-4H3/t19-/m1/s1