(2S)-2-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]pentanedioic acid Openeye Name: (2S)-2-[[2-(8-methyl-2-oxo-4-propyl-chromen-7-yl)oxyacetyl]amino]pentanedioic acid CAS Name: (2S)-2-[[2-[(8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[2-(2-keto-8-methyl-4-propyl-chromen-7-yl)oxyacetyl]amino]glutaric acid Formula: C20H23NO8 MolecularWeight: 405.39852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H23NO8/c1-3-4-12-9-18(25)29-19-11(2)15(7-5-13(12)19)28-10-16(22)21-14(20(26)27)6-8-17(23)24/h5,7,9,14H,3-4,6,8,10H2,1-2H3,(H,21,22)(H,23,24)(H,26,27)/t14-/m0/s1