3-[(3-ethoxycarbonyl-2-methyl-5-oxidanylidene-benzo[g][1]benzofuran-4-ylidene)methylamino]propanoic acid

Systemtic Name: 3-[(3-ethoxycarbonyl-2-methyl-5-oxidanylidene-benzo[g][1]benzofuran-4-ylidene)methylamino]propanoic acid Openeye Name: 3-[(3-ethoxycarbonyl-2-methyl-5-oxo-benzo[g]benzofuran-4-ylidene)methylamino]propanoic acid CAS Name: 3-[(3-ethoxycarbonyl-2-methyl-5-oxo-4-benzo[g]benzofuranylidene)methylamino]propanoic acid IUPAC Name: 3-[(3-ethoxycarbonyl-2-methyl-5-oxobenzo[g][1]benzofuran-4-ylidene)methylamino]propanoic acid Traditional Name: 3-[(3-carbethoxy-5-keto-2-methyl-benzo[g]benzofuran-4-ylidene)methylamino]propionic acid Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=CNCCC(=O)O)C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=CNCCC(=O)O)C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H19NO6/c1-3-26-20(25)16-11(2)27-19-13-7-5-4-6-12(13)18(24)14(17(16)19)10-21-9-8-15(22)23/h4-7,10,21H,3,8-9H2,1-2H3,(H,22,23)