ethyl 2-(4-ethoxyphenyl)-1,3-dimethyl-6-oxidanylidene-cyclohepta[c]pyrrole-5-carboxylate

Systemtic Name: ethyl 2-(4-ethoxyphenyl)-1,3-dimethyl-6-oxidanylidene-cyclohepta[c]pyrrole-5-carboxylate Openeye Name: ethyl 2-(4-ethoxyphenyl)-1,3-dimethyl-6-oxo-cyclohepta[c]pyrrole-5-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1,3-dimethyl-6-oxo-5-cyclohepta[c]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethoxyphenyl)-1,3-dimethyl-6-oxocyclohepta[c]pyrrole-5-carboxylate Traditional Name: 6-keto-1,3-dimethyl-2-p-phenetyl-cyclohepta[c]pyrrole-5-carboxylic acid ethyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C=CC(=O)C(=CC3=C2C)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C=CC(=O)C(=CC3=C2C)C(=O)OCC)C

InChI

InChI=1S/C22H23NO4/c1-5-26-17-9-7-16(8-10-17)23-14(3)18-11-12-21(24)20(22(25)27-6-2)13-19(18)15(23)4/h7-13H,5-6H2,1-4H3