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

Systemtic Name: ethyl 1,3-dimethyl-2-(4-methylphenyl)-6-oxidanylidene-cyclohepta[c]pyrrole-5-carboxylate Openeye Name: ethyl 1,3-dimethyl-6-oxo-2-(p-tolyl)cyclohepta[c]pyrrole-5-carboxylate CAS Name: 1,3-dimethyl-2-(4-methylphenyl)-6-oxo-5-cyclohepta[c]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3-dimethyl-2-(4-methylphenyl)-6-oxocyclohepta[c]pyrrole-5-carboxylate Traditional Name: 6-keto-1,3-dimethyl-2-(p-tolyl)cyclohepta[c]pyrrole-5-carboxylic acid ethyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N(C(=C2C=CC1=O)C)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N(C(=C2C=CC1=O)C)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H21NO3/c1-5-25-21(24)19-12-18-15(4)22(16-8-6-13(2)7-9-16)14(3)17(18)10-11-20(19)23/h6-12H,5H2,1-4H3