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

Systemtic Name: 3-[[(2S)-2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]propanoate Openeye Name: 3-[[(2S)-2-(4-butyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]propanoate CAS Name: 3-[[(2S)-2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]propanoate IUPAC Name: 3-[[(2S)-2-(4-butyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2-(4-butyl-2-keto-chromen-7-yl)oxypropanoyl]amino]propionate Formula: C19H22NO6- MolecularWeight: 360.38108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCCC(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C19H23NO6/c1-3-4-5-13-10-18(23)26-16-11-14(6-7-15(13)16)25-12(2)19(24)20-9-8-17(21)22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,20,24)(H,21,22)/p-1/t12-/m0/s1