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

Systemtic Name: (2R)-4-[(4-tert-butylphenyl)methyl]-2-methyl-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: (2R)-4-[(4-tert-butylphenyl)methyl]-2-methyl-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: (2R)-4-[(4-tert-butylphenyl)methyl]-2-methyl-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: (2R)-4-[(4-tert-butylphenyl)methyl]-2-methyl-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: (2R)-4-(4-tert-butylbenzyl)-3-keto-2-methyl-1,4-benzoxazine-6-carbaldehyde Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[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/C21H23NO3/c1-14-20(24)22(18-11-16(13-23)7-10-19(18)25-14)12-15-5-8-17(9-6-15)21(2,3)4/h5-11,13-14H,12H2,1-4H3/t14-/m1/s1