2-[2-[(6-methyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]pentanoic acid

Systemtic Name: 2-[2-[(6-methyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]pentanoic acid Openeye Name: 2-[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]pentanoic acid CAS Name: 2-[[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]-1-oxopropyl]amino]pentanoic acid IUPAC Name: 2-[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]pentanoic acid Traditional Name: 2-[2-[(4-keto-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]valeric acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C(C)OC1=C(C2=C(C=C1)C3=C(CCC3)C(=O)O2)C

Isomeric SMILES

CCCC(C(=O)O)NC(=O)C(C)OC1=C(C2=C(C=C1)C3=C(CCC3)C(=O)O2)C

InChI

InChI=1S/C21H25NO6/c1-4-6-16(20(24)25)22-19(23)12(3)27-17-10-9-14-13-7-5-8-15(13)21(26)28-18(14)11(17)2/h9-10,12,16H,4-8H2,1-3H3,(H,22,23)(H,24,25)