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

Systemtic Name: ethyl 4-[2-[[2-(azonan-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]-2-ethoxy-benzoate Openeye Name: ethyl 4-[2-[[2-(azonan-1-yl)-5-chloro-benzoyl]amino]ethyl]-2-ethoxy-benzoate CAS Name: 4-[2-[[[2-(1-azonanyl)-5-chlorophenyl]-oxomethyl]amino]ethyl]-2-ethoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-ethoxybenzoate Traditional Name: 4-[2-[[2-(azonan-1-yl)-5-chloro-benzoyl]amino]ethyl]-2-ethoxy-benzoic acid ethyl ester Formula: C28H37ClN2O4 MolecularWeight: 501.05738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)N3CCCCCCCC3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)N3CCCCCCCC3)C(=O)OCC

InChI

InChI=1S/C28H37ClN2O4/c1-3-34-26-19-21(11-13-23(26)28(33)35-4-2)15-16-30-27(32)24-20-22(29)12-14-25(24)31-17-9-7-5-6-8-10-18-31/h11-14,19-20H,3-10,15-18H2,1-2H3,(H,30,32)