4-[2-(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl)oxyethanoylamino]butanoic acid

Systemtic Name: 4-[2-(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl)oxyethanoylamino]butanoic acid Openeye Name: 4-[[2-(2-methyl-4-oxo-3-phenoxy-chromen-7-yl)oxyacetyl]amino]butanoic acid CAS Name: 4-[[2-[(2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]butanoic acid Traditional Name: 4-[[2-(4-keto-2-methyl-3-phenoxy-chromen-7-yl)oxyacetyl]amino]butyric acid Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NCCCC(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NCCCC(=O)O)OC3=CC=CC=C3

InChI

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