(2R)-6-butanoyl-2-methyl-4-[(1R)-1-phenylethyl]-1,4-benzoxazin-3-one

Systemtic Name: (2R)-6-butanoyl-2-methyl-4-[(1R)-1-phenylethyl]-1,4-benzoxazin-3-one Openeye Name: (2R)-6-butanoyl-2-methyl-4-[(1R)-1-phenylethyl]-1,4-benzoxazin-3-one CAS Name: (2R)-2-methyl-6-(1-oxobutyl)-4-[(1R)-1-phenylethyl]-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-butanoyl-2-methyl-4-[(1R)-1-phenylethyl]-1,4-benzoxazin-3-one Traditional Name: (2R)-6-butyryl-2-methyl-4-[(1R)-1-phenylethyl]-1,4-benzoxazin-3-one Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2C(C)C3=CC=CC=C3)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2[C@H](C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23NO3/c1-4-8-19(23)17-11-12-20-18(13-17)22(21(24)15(3)25-20)14(2)16-9-6-5-7-10-16/h5-7,9-15H,4,8H2,1-3H3/t14-,15-/m1/s1