2-[2-(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(6-chloro-2-oxo-4-propyl-chromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(6-chloro-2-keto-4-propyl-chromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C25H23ClN2O7 MolecularWeight: 498.91232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C25H23ClN2O7/c1-2-3-13-7-24(31)35-21-10-22(18(26)9-17(13)21)34-12-23(30)28-20(25(32)33)6-14-11-27-19-5-4-15(29)8-16(14)19/h4-5,7-11,20,27,29H,2-3,6,12H2,1H3,(H,28,30)(H,32,33)