(2S)-6-[(2S)-2-chloranylpropanoyl]-2-phenyl-4-propyl-1,4-benzoxazin-3-one

Systemtic Name: (2S)-6-[(2S)-2-chloranylpropanoyl]-2-phenyl-4-propyl-1,4-benzoxazin-3-one Openeye Name: (2S)-6-[(2S)-2-chloropropanoyl]-2-phenyl-4-propyl-1,4-benzoxazin-3-one CAS Name: (2S)-6-[(2S)-2-chloro-1-oxopropyl]-2-phenyl-4-propyl-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-[(2S)-2-chloropropanoyl]-2-phenyl-4-propyl-1,4-benzoxazin-3-one Traditional Name: (2S)-6-[(2S)-2-chloropropanoyl]-2-phenyl-4-propyl-1,4-benzoxazin-3-one Formula: C20H20ClNO3 MolecularWeight: 357.8307

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(=O)C(C)Cl)OC(C1=O)C3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(=O)[C@H](C)Cl)O[C@H](C1=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO3/c1-3-11-22-16-12-15(18(23)13(2)21)9-10-17(16)25-19(20(22)24)14-7-5-4-6-8-14/h4-10,12-13,19H,3,11H2,1-2H3/t13-,19-/m0/s1