(2S)-2-[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]propanoic acid Openeye Name: (2S)-2-[2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]propanoic acid CAS Name: (2S)-2-[[1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]propyl]amino]propanoic acid IUPAC Name: (2S)-2-[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid Traditional Name: (2S)-2-[2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxypropanoylamino]propionic acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(C)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H](C)C(=O)O)C

InChI

InChI=1S/C18H21NO6/c1-8-9(2)18(23)25-15-10(3)14(7-6-13(8)15)24-12(5)16(20)19-11(4)17(21)22/h6-7,11-12H,1-5H3,(H,19,20)(H,21,22)/t11-,12?/m0/s1