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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

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