(2S)-6-[(2S)-2-chloranylpropanoyl]-2-methyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one

Systemtic Name: (2S)-6-[(2S)-2-chloranylpropanoyl]-2-methyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one Openeye Name: (2S)-6-[(2S)-2-chloropropanoyl]-4-isopentyl-2-methyl-1,4-benzoxazin-3-one CAS Name: (2S)-6-[(2S)-2-chloro-1-oxopropyl]-2-methyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-[(2S)-2-chloropropanoyl]-2-methyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one Traditional Name: (2S)-6-[(2S)-2-chloropropanoyl]-4-isoamyl-2-methyl-1,4-benzoxazin-3-one Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C(C)Cl)CCC(C)C

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)[C@H](C)Cl)CCC(C)C

InChI

InChI=1S/C17H22ClNO3/c1-10(2)7-8-19-14-9-13(16(20)11(3)18)5-6-15(14)22-12(4)17(19)21/h5-6,9-12H,7-8H2,1-4H3/t11-,12-/m0/s1