6-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]hexanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCCCCCC(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCCCCCC(=O)O

InChI

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