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

Systemtic Name: 3-methylbutyl 2-[(2S)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanoate Openeye Name: isopentyl 2-[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid isoamyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC(=O)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-12(2)7-8-22-18(21)11-19-10-13(3)23-17-6-5-15(14(4)20)9-16(17)19/h5-6,9,12-13H,7-8,10-11H2,1-4H3/t13-/m0/s1