[3-[1-(6-oxidanyl-4-oxidanylidene-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]carbamic acid

Systemtic Name: [3-[1-(6-oxidanyl-4-oxidanylidene-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]carbamic acid Openeye Name: [3-[1-(6-hydroxy-4-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]carbamic acid CAS Name: [3-[1-(6-hydroxy-4-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]carbamic acid IUPAC Name: [3-[1-(6-hydroxy-4-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]carbamic acid Traditional Name: [3-[1-(6-hydroxy-4-keto-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]carbamic acid Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)C(CC)C2=CC(=CC=C2)NC(=O)O)CCC

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)C(CC)C2=CC(=CC=C2)NC(=O)O)CCC

InChI

InChI=1S/C21H29NO5/c1-4-10-21(11-5-2)13-17(23)18(19(24)27-21)16(6-3)14-8-7-9-15(12-14)22-20(25)26/h7-9,12,16,22,24H,4-6,10-11,13H2,1-3H3,(H,25,26)