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

Systemtic Name: 2-[(2S)-7-methyl-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-isopentyl-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-methyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-isoamyl-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-10(2)6-7-17-12-5-4-11(3)8-13(12)21-14(16(17)20)9-15(18)19/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,18,19)/t14-/m0/s1