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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-4-11-6-5-7-12-15(11)21-14(10(2)3)16(20)17(12)9-8-13(18)19/h5-7,10,14H,4,8-9H2,1-3H3,(H,18,19)