3-[[(2R)-2-ethyl-6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid

Systemtic Name: 3-[[(2R)-2-ethyl-6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 3-[[(2R)-2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 3-[[(2R)-2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 3-[[(2R)-2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 3-[[(2R)-2-ethyl-3-keto-6-methyl-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H19NO4/c1-3-16-18(21)20(15-9-12(2)7-8-17(15)24-16)11-13-5-4-6-14(10-13)19(22)23/h4-10,16H,3,11H2,1-2H3,(H,22,23)/t16-/m1/s1