6-[(1S)-1-azanylpropyl]-2,2-dimethyl-4-(3-oxidanylpropyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanylpropyl]-2,2-dimethyl-4-(3-oxidanylpropyl)-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminopropyl]-4-(3-hydroxypropyl)-2,2-dimethyl-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminopropyl]-4-(3-hydroxypropyl)-2,2-dimethyl-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminopropyl]-4-(3-hydroxypropyl)-2,2-dimethyl-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminopropyl]-4-(3-hydroxypropyl)-2,2-dimethyl-1,4-benzoxazin-3-one Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CCCO)(C)C)N

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CCCO)(C)C)N

InChI

InChI=1S/C16H24N2O3/c1-4-12(17)11-6-7-14-13(10-11)18(8-5-9-19)15(20)16(2,3)21-14/h6-7,10,12,19H,4-5,8-9,17H2,1-3H3/t12-/m0/s1