4-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]butanoic acid

Systemtic Name: 4-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]butanoic acid Openeye Name: 4-[2-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoylamino]butanoic acid CAS Name: 4-[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]butanoic acid IUPAC Name: 4-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]butanoic acid Traditional Name: 4-[2-(2-keto-4-phenyl-chromen-7-yl)oxypropanoylamino]butyric acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC(=O)O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCCC(=O)O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

InChI

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