6-[(2S)-2-chloranylpropanoyl]-2,2-dimethyl-4-(phenylmethyl)-1,4-benzoxazin-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC3=CC=CC=C3)(C)C)Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC3=CC=CC=C3)(C)C)Cl

InChI

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