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

Systemtic Name: butyl (2S)-2-[(2R)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate Openeye Name: butyl (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoic acid butyl ester IUPAC Name: butyl (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propionic acid butyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)N1CC(OC2=C1C=C(C=C2)C(=O)C)C

Isomeric SMILES

CCCCOC(=O)[C@H](C)N1C[C@H](OC2=C1C=C(C=C2)C(=O)C)C

InChI

InChI=1S/C18H25NO4/c1-5-6-9-22-18(21)13(3)19-11-12(2)23-17-8-7-15(14(4)20)10-16(17)19/h7-8,10,12-13H,5-6,9,11H2,1-4H3/t12-,13+/m1/s1