ethyl 2-[[2-(ethoxycarbonylamino)phenyl]amino]cyclohepta[b]pyrrole-3-carboxylate

Systemtic Name: ethyl 2-[[2-(ethoxycarbonylamino)phenyl]amino]cyclohepta[b]pyrrole-3-carboxylate Openeye Name: ethyl 2-[2-(ethoxycarbonylamino)anilino]cyclohepta[b]pyrrole-3-carboxylate CAS Name: 2-[2-(ethoxycarbonylamino)anilino]-3-cyclohepta[b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(ethoxycarbonylamino)anilino]cyclohepta[b]pyrrole-3-carboxylate Traditional Name: 2-[2-(carbethoxyamino)anilino]cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C1=CC=CC=C2)NC3=CC=CC=C3NC(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=C2C1=CC=CC=C2)NC3=CC=CC=C3NC(=O)OCC

InChI

InChI=1S/C21H21N3O4/c1-3-27-20(25)18-14-10-6-5-7-11-15(14)22-19(18)23-16-12-8-9-13-17(16)24-21(26)28-4-2/h5-13H,3-4H2,1-2H3,(H,22,23)(H,24,26)