2-[(2S)-7-methyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-7-methyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-isobutyl-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-isobutyl-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CC(C)C

InChI

InChI=1S/C15H19NO4/c1-9(2)8-16-11-5-4-10(3)6-12(11)20-13(15(16)19)7-14(17)18/h4-6,9,13H,7-8H2,1-3H3,(H,17,18)/t13-/m0/s1