(2S)-3-methyl-2-[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxyacetyl]amino]-3-methyl-butyrate Formula: C19H22NO6- MolecularWeight: 360.38108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(C(C)C)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6/c1-9(2)16(18(22)23)20-15(21)8-25-14-7-6-13-10(3)11(4)19(24)26-17(13)12(14)5/h6-7,9,16H,8H2,1-5H3,(H,20,21)(H,22,23)/p-1/t16-/m0/s1