ethyl 4-[2-[[2-(1-azacycloundec-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]benzoate

Systemtic Name: ethyl 4-[2-[[2-(1-azacycloundec-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]benzoate Openeye Name: ethyl 4-[2-[[2-(azacycloundec-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[2-(azacycloundec-1-yl)-5-chlorophenyl]-oxomethyl]amino]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(azacycloundec-1-yl)-5-chlorobenzoyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(azacycloundec-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid ethyl ester Formula: C28H37ClN2O3 MolecularWeight: 485.05798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)N3CCCCCCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)N3CCCCCCCCCC3

InChI

InChI=1S/C28H37ClN2O3/c1-2-34-28(33)23-13-11-22(12-14-23)17-18-30-27(32)25-21-24(29)15-16-26(25)31-19-9-7-5-3-4-6-8-10-20-31/h11-16,21H,2-10,17-20H2,1H3,(H,30,32)