3-[6-[(1S)-1-azanylpropyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[6-[(1S)-1-azanylpropyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[6-[(1S)-1-aminopropyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[6-[(1S)-1-aminopropyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[6-[(1S)-1-aminopropyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[6-[(1S)-1-aminopropyl]-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]propionic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CCC(=O)O)(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-4-11(17)10-5-6-13-12(9-10)18(8-7-14(19)20)15(21)16(2,3)22-13/h5-6,9,11H,4,7-8,17H2,1-3H3,(H,19,20)/t11-/m0/s1