3-(6-ethyl-8-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid

Systemtic Name: 3-(6-ethyl-8-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid Openeye Name: 3-(6-ethyl-2-isopropyl-8-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid CAS Name: 3-(6-ethyl-8-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid IUPAC Name: 3-(6-ethyl-8-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid Traditional Name: 3-(6-ethyl-2-isopropyl-3-keto-8-methyl-1,4-benzoxazin-4-yl)propionic acid Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1)N(C(=O)C(O2)C(C)C)CCC(=O)O)C

Isomeric SMILES

CCC1=CC(=C2C(=C1)N(C(=O)C(O2)C(C)C)CCC(=O)O)C

InChI

InChI=1S/C17H23NO4/c1-5-12-8-11(4)16-13(9-12)18(7-6-14(19)20)17(21)15(22-16)10(2)3/h8-10,15H,5-7H2,1-4H3,(H,19,20)