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

Systemtic Name: 4-[2-[[2-(azonan-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]-2-ethoxy-benzoic acid Openeye Name: 4-[2-[[2-(azonan-1-yl)-5-chloro-benzoyl]amino]ethyl]-2-ethoxy-benzoic acid CAS Name: 4-[2-[[[2-(1-azonanyl)-5-chlorophenyl]-oxomethyl]amino]ethyl]-2-ethoxybenzoic acid IUPAC Name: 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-ethoxybenzoic acid Traditional Name: 4-[2-[[2-(azonan-1-yl)-5-chloro-benzoyl]amino]ethyl]-2-ethoxy-benzoic acid Formula: C26H33ClN2O4 MolecularWeight: 473.00422

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C26H33ClN2O4/c1-2-33-24-17-19(9-11-21(24)26(31)32)13-14-28-25(30)22-18-20(27)10-12-23(22)29-15-7-5-3-4-6-8-16-29/h9-12,17-18H,2-8,13-16H2,1H3,(H,28,30)(H,31,32)