ethyl 4-[[2-(4-chloranylphenoxy)phenyl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[[2-(4-chloranylphenoxy)phenyl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[2-(4-chlorophenoxy)anilino]azepane-1-carboxylate CAS Name: 4-[2-(4-chlorophenoxy)anilino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chlorophenoxy)anilino]azepane-1-carboxylate Traditional Name: 4-[2-(4-chlorophenoxy)anilino]azepane-1-carboxylic acid ethyl ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)NC2=CC=CC=C2OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC2=CC=CC=C2OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3/c1-2-26-21(25)24-14-5-6-17(13-15-24)23-19-7-3-4-8-20(19)27-18-11-9-16(22)10-12-18/h3-4,7-12,17,23H,2,5-6,13-15H2,1H3