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

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

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H33ClN2O4/c1-32-24-17-19(9-11-21(24)26(31)33-2)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,3-8,13-16H2,1-2H3,(H,28,30)