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

Systemtic Name: ethyl 4-[2-[[2-(azonan-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]benzoate Openeye Name: ethyl 4-[2-[[2-(azonan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[2-(1-azonanyl)-5-chlorophenyl]-oxomethyl]amino]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(azonan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid ethyl ester Formula: C26H33ClN2O3 MolecularWeight: 457.00482

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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)N3CCCCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)N3CCCCCCCC3

InChI

InChI=1S/C26H33ClN2O3/c1-2-32-26(31)21-11-9-20(10-12-21)15-16-28-25(30)23-19-22(27)13-14-24(23)29-17-7-5-3-4-6-8-18-29/h9-14,19H,2-8,15-18H2,1H3,(H,28,30)