(2S)-3-methyl-2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-[(6-oxo-3-benzo[c][1]benzopyranyl)oxy]ethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(6-ketobenzo[c]chromen-3-yl)oxyacetyl]amino]-3-methyl-butyrate Formula: C20H18NO6- MolecularWeight: 368.36002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)COC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)COC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C20H19NO6/c1-11(2)18(19(23)24)21-17(22)10-26-12-7-8-14-13-5-3-4-6-15(13)20(25)27-16(14)9-12/h3-9,11,18H,10H2,1-2H3,(H,21,22)(H,23,24)/p-1/t18-/m0/s1