ethyl 4-(4-ethoxy-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]pyrrol-2-yl)benzoate

Systemtic Name: ethyl 4-(4-ethoxy-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]pyrrol-2-yl)benzoate Openeye Name: ethyl 4-(4-ethoxy-1,3-dimethyl-8-oxo-cyclohepta[c]pyrrol-2-yl)benzoate CAS Name: 4-(4-ethoxy-1,3-dimethyl-8-oxo-2-cyclohepta[c]pyrrolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxy-1,3-dimethyl-8-oxocyclohepta[c]pyrrol-2-yl)benzoate Traditional Name: 4-(4-ethoxy-8-keto-1,3-dimethyl-cyclohepta[c]pyrrol-2-yl)benzoic acid ethyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)C3=CC=C(C=C3)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)C3=CC=C(C=C3)C(=O)OCC)C

InChI

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