3-[(2R)-8-chloranyl-6-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[(2R)-8-chloranyl-6-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-8-chloro-2-isopropyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-8-chloro-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-8-chloro-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-8-chloro-2-isopropyl-3-keto-6-methyl-1,4-benzoxazin-4-yl]propionic acid Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)Cl)OC(C(=O)N2CCC(=O)O)C(C)C

Isomeric SMILES

CC1=CC2=C(C(=C1)Cl)O[C@@H](C(=O)N2CCC(=O)O)C(C)C

InChI

InChI=1S/C15H18ClNO4/c1-8(2)13-15(20)17(5-4-12(18)19)11-7-9(3)6-10(16)14(11)21-13/h6-8,13H,4-5H2,1-3H3,(H,18,19)/t13-/m1/s1