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

Systemtic Name: methyl 4-[2-[[2-(azepan-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(azepan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[2-(1-azepanyl)-5-chlorophenyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(azepan-1-yl)-5-chlorobenzoyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(azepan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid methyl ester Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)N3CCCCCC3

InChI

InChI=1S/C23H27ClN2O3/c1-29-23(28)18-8-6-17(7-9-18)12-13-25-22(27)20-16-19(24)10-11-21(20)26-14-4-2-3-5-15-26/h6-11,16H,2-5,12-15H2,1H3,(H,25,27)