(2R)-6-[(1S)-1-azanylethyl]-2-ethyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one

Systemtic Name: (2R)-6-[(1S)-1-azanylethyl]-2-ethyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one Openeye Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-isopentyl-1,4-benzoxazin-3-one CAS Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one Traditional Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-isoamyl-1,4-benzoxazin-3-one Formula: C17H26N2O2 MolecularWeight: 290.40054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)N)CCC(C)C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)N)CCC(C)C

InChI

InChI=1S/C17H26N2O2/c1-5-15-17(20)19(9-8-11(2)3)14-10-13(12(4)18)6-7-16(14)21-15/h6-7,10-12,15H,5,8-9,18H2,1-4H3/t12-,15+/m0/s1