4-[5,7-bis(ethoxycarbonyl)-1,3-dimethyl-6-oxidanylidene-cyclohepta[c]pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5,7-bis(ethoxycarbonyl)-1,3-dimethyl-6-oxidanylidene-cyclohepta[c]pyrrol-2-yl]benzoic acid Openeye Name: 4-[5,7-bis(ethoxycarbonyl)-1,3-dimethyl-6-oxo-cyclohepta[c]pyrrol-2-yl]benzoic acid CAS Name: 4-[5,7-bis(ethoxycarbonyl)-1,3-dimethyl-6-oxo-2-cyclohepta[c]pyrrolyl]benzoic acid IUPAC Name: 4-[5,7-bis(ethoxycarbonyl)-1,3-dimethyl-6-oxocyclohepta[c]pyrrol-2-yl]benzoic acid Traditional Name: 4-(5,7-dicarbethoxy-6-keto-1,3-dimethyl-cyclohepta[c]pyrrol-2-yl)benzoic acid Formula: C24H23NO7 MolecularWeight: 437.44192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N(C(=C2C=C(C1=O)C(=O)OCC)C)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N(C(=C2C=C(C1=O)C(=O)OCC)C)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C24H23NO7/c1-5-31-23(29)19-11-17-13(3)25(16-9-7-15(8-10-16)22(27)28)14(4)18(17)12-20(21(19)26)24(30)32-6-2/h7-12H,5-6H2,1-4H3,(H,27,28)