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

Systemtic Name: 3-[[(2S)-2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]propanoate Openeye Name: 3-[[(2S)-2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]propanoate CAS Name: 3-[[(2S)-2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]propanoate IUPAC Name: 3-[[(2S)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2-(2-keto-3,4-dimethyl-chromen-7-yl)oxypropanoyl]amino]propionate Formula: C17H18NO6- MolecularWeight: 332.32792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCCC(=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)NCCC(=O)[O-])C

InChI

InChI=1S/C17H19NO6/c1-9-10(2)17(22)24-14-8-12(4-5-13(9)14)23-11(3)16(21)18-7-6-15(19)20/h4-5,8,11H,6-7H2,1-3H3,(H,18,21)(H,19,20)/p-1/t11-/m0/s1