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

Systemtic Name: (2S)-2-methyl-3-oxidanylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazine-6-carbaldehyde Openeye Name: (2S)-4-[(4-isopropylphenyl)methyl]-2-methyl-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: (2S)-2-methyl-3-oxo-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: (2S)-2-methyl-3-oxo-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazine-6-carbaldehyde Traditional Name: (2S)-4-(4-isopropylbenzyl)-3-keto-2-methyl-1,4-benzoxazine-6-carbaldehyde Formula: C20H21NO3 MolecularWeight: 323.38564

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3/c1-13(2)17-7-4-15(5-8-17)11-21-18-10-16(12-22)6-9-19(18)24-14(3)20(21)23/h4-10,12-14H,11H2,1-3H3/t14-/m0/s1