3-[(2R)-6,8-dimethyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[(2R)-6,8-dimethyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-2-isopropyl-6,8-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-6,8-dimethyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-6,8-dimethyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-2-isopropyl-3-keto-6,8-dimethyl-1,4-benzoxazin-4-yl]propionic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=O)C(O2)C(C)C)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=O)[C@H](O2)C(C)C)CCC(=O)O)C

InChI

InChI=1S/C16H21NO4/c1-9(2)14-16(20)17(6-5-13(18)19)12-8-10(3)7-11(4)15(12)21-14/h7-9,14H,5-6H2,1-4H3,(H,18,19)/t14-/m1/s1