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

Systemtic Name: (2S)-2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-(4-butyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(4-butyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(4-butyl-2-keto-chromen-7-yl)oxyacetyl]amino]-3-methyl-butyrate Formula: C20H24NO6- MolecularWeight: 374.40766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C20H25NO6/c1-4-5-6-13-9-18(23)27-16-10-14(7-8-15(13)16)26-11-17(22)21-19(12(2)3)20(24)25/h7-10,12,19H,4-6,11H2,1-3H3,(H,21,22)(H,24,25)/p-1/t19-/m0/s1