4-[[(2R)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid

Systemtic Name: 4-[[(2R)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2R)-2-ethyl-3-keto-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H17NO4/c1-2-15-17(20)19(14-5-3-4-6-16(14)23-15)11-12-7-9-13(10-8-12)18(21)22/h3-10,15H,2,11H2,1H3,(H,21,22)/t15-/m1/s1