(2R)-2-ethyl-4-[3-(3-methylphenoxy)propyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CCCOC3=CC=CC(=C3)C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CCCOC3=CC=CC(=C3)C

InChI

InChI=1S/C21H23NO4/c1-3-19-21(24)22(18-13-16(14-23)8-9-20(18)26-19)10-5-11-25-17-7-4-6-15(2)12-17/h4,6-9,12-14,19H,3,5,10-11H2,1-2H3/t19-/m1/s1