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

Systemtic Name: 4-[2-[[2-(azonan-1-yl)-5-chloranyl-phenyl]carbonylamino]ethyl]-2-methoxy-benzoic acid Openeye Name: 4-[2-[[2-(azonan-1-yl)-5-chloro-benzoyl]amino]ethyl]-2-methoxy-benzoic acid CAS Name: 4-[2-[[[2-(1-azonanyl)-5-chlorophenyl]-oxomethyl]amino]ethyl]-2-methoxybenzoic acid IUPAC Name: 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoic acid Traditional Name: 4-[2-[[2-(azonan-1-yl)-5-chloro-benzoyl]amino]ethyl]-2-methoxy-benzoic acid Formula: C25H31ClN2O4 MolecularWeight: 458.97764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)N3CCCCCCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)N3CCCCCCCC3)C(=O)O

InChI

InChI=1S/C25H31ClN2O4/c1-32-23-16-18(8-10-20(23)25(30)31)12-13-27-24(29)21-17-19(26)9-11-22(21)28-14-6-4-2-3-5-7-15-28/h8-11,16-17H,2-7,12-15H2,1H3,(H,27,29)(H,30,31)