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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2CC(OC3=C2C=C(C=C3)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C[C@@H](OC3=C2C=C(C=C3)C(=O)C)C

InChI

InChI=1S/C21H23NO4/c1-4-25-21(24)17-7-5-16(6-8-17)13-22-12-14(2)26-20-10-9-18(15(3)23)11-19(20)22/h5-11,14H,4,12-13H2,1-3H3/t14-/m0/s1