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

Systemtic Name: 3-[[(2R)-6-chloranyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 3-[[(2R)-6-chloro-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 3-[[(2R)-6-chloro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 3-[[(2R)-6-chloro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 3-[[(2R)-6-chloro-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C19H18ClNO4 MolecularWeight: 359.80352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO4/c1-11(2)17-18(22)21(15-9-14(20)6-7-16(15)25-17)10-12-4-3-5-13(8-12)19(23)24/h3-9,11,17H,10H2,1-2H3,(H,23,24)/t17-/m1/s1