2-[[(2R)-2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]ethanoate

Systemtic Name: 2-[[(2R)-2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]ethanoate Openeye Name: 2-[[(2R)-2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]acetate CAS Name: 2-[[(2R)-2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]acetate IUPAC Name: 2-[[(2R)-2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetate Traditional Name: 2-[[(2R)-2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxypropanoyl]amino]acetate Formula: C21H26NO6- MolecularWeight: 388.43424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OC(C)C(=O)NCC(=O)[O-])OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)O[C@H](C)C(=O)NCC(=O)[O-])OC1=O)C

InChI

InChI=1S/C21H27NO6/c1-4-5-6-7-8-17-13(2)16-10-9-15(11-18(16)28-21(17)26)27-14(3)20(25)22-12-19(23)24/h9-11,14H,4-8,12H2,1-3H3,(H,22,25)(H,23,24)/p-1/t14-/m1/s1