(2S)-4-[3-(4-ethylphenoxy)propyl]-2-methyl-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: (2S)-4-[3-(4-ethylphenoxy)propyl]-2-methyl-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: (2S)-4-[3-(4-ethylphenoxy)propyl]-2-methyl-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: (2S)-4-[3-(4-ethylphenoxy)propyl]-2-methyl-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: (2S)-4-[3-(4-ethylphenoxy)propyl]-2-methyl-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: (2S)-4-[3-(4-ethylphenoxy)propyl]-3-keto-2-methyl-1,4-benzoxazine-6-carbaldehyde Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCN2C3=C(C=CC(=C3)C=O)OC(C2=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCN2C3=C(C=CC(=C3)C=O)O[C@H](C2=O)C

InChI

InChI=1S/C21H23NO4/c1-3-16-5-8-18(9-6-16)25-12-4-11-22-19-13-17(14-23)7-10-20(19)26-15(2)21(22)24/h5-10,13-15H,3-4,11-12H2,1-2H3/t15-/m0/s1