(2R)-3-(4-hydroxyphenyl)-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid

Systemtic Name: (2R)-3-(4-hydroxyphenyl)-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid Openeye Name: (2R)-2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2R)-2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2R)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2R)-2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO7/c1-12-16-7-6-15(25)11-19(16)30-22(29)17(12)8-9-20(26)23-18(21(27)28)10-13-2-4-14(24)5-3-13/h2-7,11,18,24-25H,8-10H2,1H3,(H,23,26)(H,27,28)/t18-/m1/s1