3-(8-methyl-4-oxidanyl-7-oxidanylidene-3-pyridin-2-yl-5,6,8,8a-tetrahydrochromen-2-yl)propanoate

Systemtic Name: 3-(8-methyl-4-oxidanyl-7-oxidanylidene-3-pyridin-2-yl-5,6,8,8a-tetrahydrochromen-2-yl)propanoate Openeye Name: 3-[4-hydroxy-8-methyl-7-oxo-3-(2-pyridyl)-5,6,8,8a-tetrahydrochromen-2-yl]propanoate CAS Name: 3-[4-hydroxy-8-methyl-7-oxo-3-(2-pyridinyl)-5,6,8,8a-tetrahydro-1-benzopyran-2-yl]propanoate IUPAC Name: 3-(4-hydroxy-8-methyl-7-oxo-3-pyridin-2-yl-5,6,8,8a-tetrahydrochromen-2-yl)propanoate Traditional Name: 3-[4-hydroxy-7-keto-8-methyl-3-(2-pyridyl)-5,6,8,8a-tetrahydrochromen-2-yl]propionate Formula: C18H18NO5- MolecularWeight: 328.33922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(=C(C(=C(O2)CCC(=O)[O-])C3=CC=CC=N3)O)CCC1=O

Isomeric SMILES

CC1C2C(=C(C(=C(O2)CCC(=O)[O-])C3=CC=CC=N3)O)CCC1=O

InChI

InChI=1S/C18H19NO5/c1-10-13(20)6-5-11-17(23)16(12-4-2-3-9-19-12)14(24-18(10)11)7-8-15(21)22/h2-4,9-10,18,23H,5-8H2,1H3,(H,21,22)/p-1