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

Systemtic Name: (2S)-2-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]butanedioic acid Openeye Name: (2S)-2-[[2-(8-methyl-2-oxo-4-propyl-chromen-7-yl)oxyacetyl]amino]butanedioic acid CAS Name: (2S)-2-[[2-[(8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]butanedioic acid Traditional Name: (2S)-2-[[2-(2-keto-8-methyl-4-propyl-chromen-7-yl)oxyacetyl]amino]succinic acid Formula: C19H21NO8 MolecularWeight: 391.37194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO8/c1-3-4-11-7-17(24)28-18-10(2)14(6-5-12(11)18)27-9-15(21)20-13(19(25)26)8-16(22)23/h5-7,13H,3-4,8-9H2,1-2H3,(H,20,21)(H,22,23)(H,25,26)/t13-/m0/s1