3-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]propanoic acid

Systemtic Name: 3-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]propanoic acid Openeye Name: 3-[[2-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-[[2-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-[[2-(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]propionic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H21NO6/c1-14-17-8-7-16(28-13-20(24)23-10-9-21(25)26)12-19(17)29-22(27)18(14)11-15-5-3-2-4-6-15/h2-8,12H,9-11,13H2,1H3,(H,23,24)(H,25,26)