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

Systemtic Name: [5-methyl-8-(8-oxidanyl-1,5-diazonan-7-yl)-1-(phenylmethyl)-1,5-diazonan-7-yl] 4-chloranylbenzoate Openeye Name: [1-benzyl-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-(phenylmethyl)-1,5-diazonan-7-yl] ester IUPAC Name: [1-benzyl-8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1,5-diazonan-7-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-benzyl-8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1,5-diazonan-7-yl] ester Formula: C29H41ClN4O3 MolecularWeight: 529.11384

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC(C(C1)OC(=O)C2=CC=C(C=C2)Cl)C3CNCCCNCC3O)CC4=CC=CC=C4

Isomeric SMILES

CN1CCCN(CC(C(C1)OC(=O)C2=CC=C(C=C2)Cl)C3CNCCCNCC3O)CC4=CC=CC=C4

InChI

InChI=1S/C29H41ClN4O3/c1-33-15-6-16-34(19-22-7-3-2-4-8-22)20-26(25-17-31-13-5-14-32-18-27(25)35)28(21-33)37-29(36)23-9-11-24(30)12-10-23/h2-4,7-12,25-28,31-32,35H,5-6,13-21H2,1H3