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

Systemtic Name: 4-[(3-ethoxycarbonyl-2-methyl-5-oxidanylidene-benzo[g][1]benzofuran-4-ylidene)methylamino]butanoic acid Openeye Name: 4-[(3-ethoxycarbonyl-2-methyl-5-oxo-benzo[g]benzofuran-4-ylidene)methylamino]butanoic acid CAS Name: 4-[(3-ethoxycarbonyl-2-methyl-5-oxo-4-benzo[g]benzofuranylidene)methylamino]butanoic acid IUPAC Name: 4-[(3-ethoxycarbonyl-2-methyl-5-oxobenzo[g][1]benzofuran-4-ylidene)methylamino]butanoic acid Traditional Name: 4-[(3-carbethoxy-5-keto-2-methyl-benzo[g]benzofuran-4-ylidene)methylamino]butyric acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6/c1-3-27-21(26)17-12(2)28-20-14-8-5-4-7-13(14)19(25)15(18(17)20)11-22-10-6-9-16(23)24/h4-5,7-8,11,22H,3,6,9-10H2,1-2H3,(H,23,24)