8-[(2-oxidanylidenechromen-3-yl)carbonylamino]octanoic acid

Systemtic Name: 8-[(2-oxidanylidenechromen-3-yl)carbonylamino]octanoic acid Openeye Name: 8-[(2-oxochromene-3-carbonyl)amino]octanoic acid CAS Name: 8-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]octanoic acid IUPAC Name: 8-[(2-oxochromene-3-carbonyl)amino]octanoic acid Traditional Name: 8-[(2-ketochromene-3-carbonyl)amino]caprylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C18H21NO5/c20-16(21)10-4-2-1-3-7-11-19-17(22)14-12-13-8-5-6-9-15(13)24-18(14)23/h5-6,8-9,12H,1-4,7,10-11H2,(H,19,22)(H,20,21)