(2S)-3-(4-hydroxyphenyl)-2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoate

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoate Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]propanoate IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]propionate Formula: C23H22NO7- MolecularWeight: 424.42328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C23H23NO7/c1-13-17-8-7-16(30-2)12-20(17)31-23(29)18(13)9-10-21(26)24-19(22(27)28)11-14-3-5-15(25)6-4-14/h3-8,12,19,25H,9-11H2,1-2H3,(H,24,26)(H,27,28)/p-1/t19-/m0/s1