(2S)-2-[2-(5,7-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2S)-2-[2-(5,7-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: (2S)-2-[[2-(5,7-dimethoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[2-(5,7-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2S)-2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-(2-keto-5,7-dimethoxy-4-methyl-chromen-3-yl)acetyl]amino]propionate Formula: C23H22NO8- MolecularWeight: 440.42268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)OC)OC)CC(=O)NC(CC3=CC=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)OC)OC)CC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C23H23NO8/c1-12-16(23(29)32-19-10-15(30-2)9-18(31-3)21(12)19)11-20(26)24-17(22(27)28)8-13-4-6-14(25)7-5-13/h4-7,9-10,17,25H,8,11H2,1-3H3,(H,24,26)(H,27,28)/p-1/t17-/m0/s1