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

Systemtic Name: (2R)-2-ethyl-3-oxidanylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazine-6-carbaldehyde Openeye Name: (2R)-2-ethyl-4-[(4-isopropylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: (2R)-2-ethyl-3-oxo-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: (2R)-2-ethyl-3-oxo-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazine-6-carbaldehyde Traditional Name: (2R)-2-ethyl-4-(4-isopropylbenzyl)-3-keto-1,4-benzoxazine-6-carbaldehyde Formula: C21H23NO3 MolecularWeight: 337.41222

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3/c1-4-19-21(24)22(12-15-5-8-17(9-6-15)14(2)3)18-11-16(13-23)7-10-20(18)25-19/h5-11,13-14,19H,4,12H2,1-3H3/t19-/m1/s1