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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CCC(C)C)(C)C)N

InChI

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