3-(4-hydroxyphenyl)-2-[3-(4-methyl-2-oxidanylidene-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[3-(4-methyl-2-oxidanylidene-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[3-(4-methyl-2-oxo-6,7,8,9-tetrahydrobenzofuro[3,2-g][1]benzopyran-3-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[3-(2-keto-4-methyl-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-3-yl)propanoylamino]propionic acid Formula: C28H27NO7 MolecularWeight: 489.51648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CCC(=O)NC(CC5=CC=C(C=C5)O)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2)CCC(=O)NC(CC5=CC=C(C=C5)O)C(=O)O

InChI

InChI=1S/C28H27NO7/c1-15-18(10-11-26(31)29-22(27(32)33)12-16-6-8-17(30)9-7-16)28(34)36-24-14-25-21(13-20(15)24)19-4-2-3-5-23(19)35-25/h6-9,13-14,22,30H,2-5,10-12H2,1H3,(H,29,31)(H,32,33)