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

Systemtic Name: methyl 4-[[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: methyl 4-[[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 4-[[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 4-[[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid methyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-4-18-13-22(12-15-5-7-16(8-6-15)21(24)25-3)19-11-17(14(2)23)9-10-20(19)26-18/h5-11,18H,4,12-13H2,1-3H3/t18-/m0/s1