(2R)-4-(3-methylbutyl)-2-phenyl-6-propanoyl-1,4-benzoxazin-3-one

Systemtic Name: (2R)-4-(3-methylbutyl)-2-phenyl-6-propanoyl-1,4-benzoxazin-3-one Openeye Name: (2R)-4-isopentyl-2-phenyl-6-propanoyl-1,4-benzoxazin-3-one CAS Name: (2R)-4-(3-methylbutyl)-6-(1-oxopropyl)-2-phenyl-1,4-benzoxazin-3-one IUPAC Name: (2R)-4-(3-methylbutyl)-2-phenyl-6-propanoyl-1,4-benzoxazin-3-one Traditional Name: (2R)-4-isoamyl-2-phenyl-6-propionyl-1,4-benzoxazin-3-one Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/c1-4-19(24)17-10-11-20-18(14-17)23(13-12-15(2)3)22(25)21(26-20)16-8-6-5-7-9-16/h5-11,14-15,21H,4,12-13H2,1-3H3/t21-/m1/s1