(2S)-2-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxo-chromen-7-yl]oxyacetyl]amino]propanoic acid CAS Name: (2S)-2-[[2-[[4-(4-methoxyphenyl)-8-methyl-2-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-[2-keto-4-(4-methoxyphenyl)-8-methyl-chromen-7-yl]oxyacetyl]amino]propionic acid Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C22H21NO7/c1-12-18(29-11-19(24)23-13(2)22(26)27)9-8-16-17(10-20(25)30-21(12)16)14-4-6-15(28-3)7-5-14/h4-10,13H,11H2,1-3H3,(H,23,24)(H,26,27)/t13-/m0/s1