3-(1H-indol-3-yl)-2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(2-ketochromen-7-yl)oxyacetyl]amino]propionic acid Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C22H18N2O6/c25-20(12-29-15-7-5-13-6-8-21(26)30-19(13)10-15)24-18(22(27)28)9-14-11-23-17-4-2-1-3-16(14)17/h1-8,10-11,18,23H,9,12H2,(H,24,25)(H,27,28)