[5-methyl-8-(8-oxidanyl-1,5-diazonan-7-yl)-1-(3-phenylmethoxybutyl)-1,5-diazonan-7-yl] 4-chloranylbenzoate

Systemtic Name: [5-methyl-8-(8-oxidanyl-1,5-diazonan-7-yl)-1-(3-phenylmethoxybutyl)-1,5-diazonan-7-yl] 4-chloranylbenzoate Openeye Name: [1-(3-benzyloxybutyl)-8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1,5-diazonan-7-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1-(3-phenylmethoxybutyl)-1,5-diazonan-7-yl] ester IUPAC Name: [8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1-(3-phenylmethoxybutyl)-1,5-diazonan-7-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-(3-benzoxybutyl)-8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1,5-diazonan-7-yl] ester Formula: C33H49ClN4O4 MolecularWeight: 601.21956

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCCN(CC(C(C1)C2CNCCCNCC2O)OC(=O)C3=CC=C(C=C3)Cl)C)OCC4=CC=CC=C4

Isomeric SMILES

CC(CCN1CCCN(CC(C(C1)C2CNCCCNCC2O)OC(=O)C3=CC=C(C=C3)Cl)C)OCC4=CC=CC=C4

InChI

InChI=1S/C33H49ClN4O4/c1-25(41-24-26-8-4-3-5-9-26)14-19-38-18-7-17-37(2)23-32(42-33(40)27-10-12-28(34)13-11-27)30(22-38)29-20-35-15-6-16-36-21-31(29)39/h3-5,8-13,25,29-32,35-36,39H,6-7,14-24H2,1-2H3