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

Systemtic Name: (2S)-2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxyacetyl]amino]-3-methyl-butyrate Formula: C18H20NO6- MolecularWeight: 346.3545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C(C)C)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6/c1-9(2)16(17(21)22)19-15(20)8-24-12-5-6-13-10(3)11(4)18(23)25-14(13)7-12/h5-7,9,16H,8H2,1-4H3,(H,19,20)(H,21,22)/p-1/t16-/m0/s1