3-methyl-2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[(6-oxo-3-benzo[c][1]benzopyranyl)oxy]ethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid Traditional Name: 2-[[2-(6-ketobenzo[c]chromen-3-yl)oxyacetyl]amino]-3-methyl-valeric acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C21H21NO6/c1-3-12(2)19(20(24)25)22-18(23)11-27-13-8-9-15-14-6-4-5-7-16(14)21(26)28-17(15)10-13/h4-10,12,19H,3,11H2,1-2H3,(H,22,23)(H,24,25)