2-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(8-methyl-2-oxo-4-propyl-chromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-[(8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2-keto-8-methyl-4-propyl-chromen-7-yl)oxyacetyl]amino]propionic acid Formula: C26H26N2O7 MolecularWeight: 478.49384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C26H26N2O7/c1-3-4-15-10-24(31)35-25-14(2)22(8-6-18(15)25)34-13-23(30)28-21(26(32)33)9-16-12-27-20-7-5-17(29)11-19(16)20/h5-8,10-12,21,27,29H,3-4,9,13H2,1-2H3,(H,28,30)(H,32,33)