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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

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