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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C19H23NO6/c1-4-5-12-8-17(22)26-15-9-13(6-7-14(12)15)25-10-16(21)20-18(11(2)3)19(23)24/h6-9,11,18H,4-5,10H2,1-3H3,(H,20,21)(H,23,24)/p-1/t18-/m0/s1