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

Systemtic Name: 3-[[(2R)-6-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 3-[[(2R)-2-isopropyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 3-[[(2R)-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 3-[[(2R)-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 3-[[(2R)-2-isopropyl-3-keto-6-methyl-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2CC3=CC=CC(=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@H](C(=O)N2CC3=CC=CC(=C3)C(=O)O)C(C)C

InChI

InChI=1S/C20H21NO4/c1-12(2)18-19(22)21(16-9-13(3)7-8-17(16)25-18)11-14-5-4-6-15(10-14)20(23)24/h4-10,12,18H,11H2,1-3H3,(H,23,24)/t18-/m1/s1