2-[(2S)-6-chloranyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-6-chloranyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-6-chloro-3-oxo-4-pentyl-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-6-chloro-3-oxo-4-pentyl-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-6-chloro-3-oxo-4-pentyl-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-amyl-6-chloro-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)O

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C15H18ClNO4/c1-2-3-4-7-17-11-8-10(16)5-6-12(11)21-13(15(17)20)9-14(18)19/h5-6,8,13H,2-4,7,9H2,1H3,(H,18,19)/t13-/m0/s1