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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CCCCOC3=CC=CC(=C3)C

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CCCCOC3=CC=CC(=C3)C

InChI

InChI=1S/C21H23NO4/c1-15-6-5-7-18(12-15)25-11-4-3-10-22-19-13-17(14-23)8-9-20(19)26-16(2)21(22)24/h5-9,12-14,16H,3-4,10-11H2,1-2H3/t16-/m0/s1