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

Systemtic Name: ethyl (2S)-2-[(2R)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid ethyl ester Formula: C17H23NO4 MolecularWeight: 305.36882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1CC(OC2=C1C=C(C=C2)C(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4/c1-5-14(17(20)21-6-2)18-10-11(3)22-16-8-7-13(12(4)19)9-15(16)18/h7-9,11,14H,5-6,10H2,1-4H3/t11-,14+/m1/s1