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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C18H21NO6/c1-4-11-7-16(21)25-14-8-12(5-6-13(11)14)24-9-15(20)19-17(10(2)3)18(22)23/h5-8,10,17H,4,9H2,1-3H3,(H,19,20)(H,22,23)/p-1/t17-/m0/s1