(2S)-6-ethanoyl-4-(3-methylbutyl)-2-phenyl-1,4-benzoxazin-3-one

Systemtic Name: (2S)-6-ethanoyl-4-(3-methylbutyl)-2-phenyl-1,4-benzoxazin-3-one Openeye Name: (2S)-6-acetyl-4-isopentyl-2-phenyl-1,4-benzoxazin-3-one CAS Name: (2S)-6-acetyl-4-(3-methylbutyl)-2-phenyl-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-acetyl-4-(3-methylbutyl)-2-phenyl-1,4-benzoxazin-3-one Traditional Name: (2S)-6-acetyl-4-isoamyl-2-phenyl-1,4-benzoxazin-3-one Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)C(=O)C)O[C@H](C1=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c1-14(2)11-12-22-18-13-17(15(3)23)9-10-19(18)25-20(21(22)24)16-7-5-4-6-8-16/h4-10,13-14,20H,11-12H2,1-3H3/t20-/m0/s1