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

Systemtic Name: 2-[2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(7-methyl-2-oxo-4-propyl-chromen-5-yl)oxypropanoylamino]propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-[(7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(2-keto-7-methyl-4-propyl-chromen-5-yl)oxypropanoylamino]propionic acid Formula: C27H28N2O7 MolecularWeight: 492.52042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O7/c1-4-5-16-11-24(31)36-23-9-14(2)8-22(25(16)23)35-15(3)26(32)29-21(27(33)34)10-17-13-28-20-7-6-18(30)12-19(17)20/h6-9,11-13,15,21,28,30H,4-5,10H2,1-3H3,(H,29,32)(H,33,34)