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

Systemtic Name: ethyl 4-[2-[[2-(azocan-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]benzoate Openeye Name: ethyl 4-[2-[[2-(azocan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[2-(1-azocanyl)-5-chlorophenyl]-oxomethyl]amino]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(azocan-1-yl)-5-chlorobenzoyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(azocan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid ethyl ester Formula: C25H31ClN2O3 MolecularWeight: 442.97824

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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)N3CCCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)N3CCCCCCC3

InChI

InChI=1S/C25H31ClN2O3/c1-2-31-25(30)20-10-8-19(9-11-20)14-15-27-24(29)22-18-21(26)12-13-23(22)28-16-6-4-3-5-7-17-28/h8-13,18H,2-7,14-17H2,1H3,(H,27,29)