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

Systemtic Name: 3-methylbutyl 2-[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanoate Openeye Name: isopentyl 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid isoamyl ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC(=O)OCCC(C)C

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC(=O)OCCC(C)C

InChI

InChI=1S/C19H27NO4/c1-5-16-11-20(12-19(22)23-9-8-13(2)3)17-10-15(14(4)21)6-7-18(17)24-16/h6-7,10,13,16H,5,8-9,11-12H2,1-4H3/t16-/m0/s1