2-[[(2S)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate

Systemtic Name: 2-[[(2S)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: 2-[[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 2-[[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate IUPAC Name: 2-[[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 2-[[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Formula: C19H18NO4- MolecularWeight: 324.35052

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C[C@H]1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C19H19NO4/c1-12-10-20(11-15-5-3-4-6-16(15)19(22)23)17-9-14(13(2)21)7-8-18(17)24-12/h3-9,12H,10-11H2,1-2H3,(H,22,23)/p-1/t12-/m0/s1