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

Systemtic Name: 6-butanoyl-2,2-dimethyl-4-[(1R)-1-phenylethyl]-1,4-benzoxazin-3-one Openeye Name: 6-butanoyl-2,2-dimethyl-4-[(1R)-1-phenylethyl]-1,4-benzoxazin-3-one CAS Name: 2,2-dimethyl-6-(1-oxobutyl)-4-[(1R)-1-phenylethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-butanoyl-2,2-dimethyl-4-[(1R)-1-phenylethyl]-1,4-benzoxazin-3-one Traditional Name: 6-butyryl-2,2-dimethyl-4-[(1R)-1-phenylethyl]-1,4-benzoxazin-3-one Formula: C22H25NO3 MolecularWeight: 351.4388

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c1-5-9-19(24)17-12-13-20-18(14-17)23(21(25)22(3,4)26-20)15(2)16-10-7-6-8-11-16/h6-8,10-15H,5,9H2,1-4H3/t15-/m1/s1