ethyl 2-[(2-acetamidophenyl)-ethanoyl-amino]cyclohepta[b]pyrrole-3-carboxylate

Systemtic Name: ethyl 2-[(2-acetamidophenyl)-ethanoyl-amino]cyclohepta[b]pyrrole-3-carboxylate Openeye Name: ethyl 2-(2-acetamido-N-acetyl-anilino)cyclohepta[b]pyrrole-3-carboxylate CAS Name: 2-(2-acetamido-N-acetylanilino)-3-cyclohepta[b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-acetamido-N-acetylanilino)cyclohepta[b]pyrrole-3-carboxylate Traditional Name: 2-(2-acetamido-N-acetyl-anilino)cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C1=CC=CC=C2)N(C3=CC=CC=C3NC(=O)C)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C1=CC=CC=C2)N(C3=CC=CC=C3NC(=O)C)C(=O)C

InChI

InChI=1S/C22H21N3O4/c1-4-29-22(28)20-16-10-6-5-7-11-17(16)24-21(20)25(15(3)27)19-13-9-8-12-18(19)23-14(2)26/h5-13H,4H2,1-3H3,(H,23,26)