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

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxyethanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(7-methyl-2-oxo-4-propyl-chromen-5-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-[(7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(2-keto-7-methyl-4-propyl-chromen-5-yl)oxyacetyl]amino]propionic acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C26H26N2O6/c1-3-6-16-12-24(30)34-22-10-15(2)9-21(25(16)22)33-14-23(29)28-20(26(31)32)11-17-13-27-19-8-5-4-7-18(17)19/h4-5,7-10,12-13,20,27H,3,6,11,14H2,1-2H3,(H,28,29)(H,31,32)