3-[[(2S)-2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoyl]amino]propanoate

Systemtic Name: 3-[[(2S)-2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoyl]amino]propanoate Openeye Name: 3-[[(2S)-2-(2-oxo-4-propyl-chromen-7-yl)oxypropanoyl]amino]propanoate CAS Name: 3-[[(2S)-1-oxo-2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxy]propyl]amino]propanoate IUPAC Name: 3-[[(2S)-2-(2-oxo-4-propylchromen-7-yl)oxypropanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2-(2-keto-4-propyl-chromen-7-yl)oxypropanoyl]amino]propionate Formula: C18H20NO6- MolecularWeight: 346.3545

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCCC(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C18H21NO6/c1-3-4-12-9-17(22)25-15-10-13(5-6-14(12)15)24-11(2)18(23)19-8-7-16(20)21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,23)(H,20,21)/p-1/t11-/m0/s1