(4-oxidanylidene-3-phenoxy-chromen-7-yl) 6-azanylhexanoate chloride

Systemtic Name: (4-oxidanylidene-3-phenoxy-chromen-7-yl) 6-azanylhexanoate chloride Openeye Name: (4-oxo-3-phenoxy-chromen-7-yl) 6-aminohexanoate chloride CAS Name: 6-aminohexanoic acid (4-oxo-3-phenoxy-1-benzopyran-7-yl) ester chloride IUPAC Name: (4-oxo-3-phenoxychromen-7-yl) 6-aminohexanoate chloride Traditional Name: 6-aminohexanoic acid (4-keto-3-phenoxy-chromen-7-yl) ester chloride Formula: C21H21ClNO5- MolecularWeight: 402.84814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCCCN.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCCCN.[Cl-]

InChI

InChI=1S/C21H21NO5.ClH/c22-12-6-2-5-9-20(23)27-16-10-11-17-18(13-16)25-14-19(21(17)24)26-15-7-3-1-4-8-15;/h1,3-4,7-8,10-11,13-14H,2,5-6,9,12,22H2;1H/p-1