6-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoylamino]hexanoic acid

Systemtic Name: 6-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoylamino]hexanoic acid Openeye Name: 6-[2-(8-methyl-2-oxo-4-propyl-chromen-7-yl)oxypropanoylamino]hexanoic acid CAS Name: 6-[[2-[(8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxypropanoylamino]hexanoic acid Traditional Name: 6-[2-(2-keto-8-methyl-4-propyl-chromen-7-yl)oxypropanoylamino]hexanoic acid Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCCCCCC(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C22H29NO6/c1-4-8-16-13-20(26)29-21-14(2)18(11-10-17(16)21)28-15(3)22(27)23-12-7-5-6-9-19(24)25/h10-11,13,15H,4-9,12H2,1-3H3,(H,23,27)(H,24,25)