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

Systemtic Name: ethyl 4-[2-[[2-(azecan-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]benzoate Openeye Name: ethyl 4-[2-[[2-(azecan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[2-(1-azecanyl)-5-chlorophenyl]-oxomethyl]amino]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(azecan-1-yl)-5-chlorobenzoyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(azecan-1-yl)-5-chloro-benzoyl]amino]ethyl]benzoic acid ethyl ester Formula: C27H35ClN2O3 MolecularWeight: 471.0314

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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)N3CCCCCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)N3CCCCCCCCC3

InChI

InChI=1S/C27H35ClN2O3/c1-2-33-27(32)22-12-10-21(11-13-22)16-17-29-26(31)24-20-23(28)14-15-25(24)30-18-8-6-4-3-5-7-9-19-30/h10-15,20H,2-9,16-19H2,1H3,(H,29,31)