[2-[2-[11-(1H-benzimidazol-2-yl)undecyl-methyl-amino]ethyl]-6-fluoranyl-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyethanoate dihydrochloride

Systemtic Name: [2-[2-[11-(1H-benzimidazol-2-yl)undecyl-methyl-amino]ethyl]-6-fluoranyl-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyethanoate dihydrochloride Openeye Name: [2-[2-[11-(1H-benzimidazol-2-yl)undecyl-methyl-amino]ethyl]-6-fluoro-1-isopropyl-tetralin-2-yl] 2-methoxyacetate dihydrochloride CAS Name: 2-methoxyacetic acid [2-[2-[11-(1H-benzimidazol-2-yl)undecyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] ester dihydrochloride IUPAC Name: [2-[2-[11-(1H-benzimidazol-2-yl)undecyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate dihydrochloride Traditional Name: 2-methoxyacetic acid [2-[2-[11-(1H-benzimidazol-2-yl)undecyl-methyl-amino]ethyl]-6-fluoro-1-isopropyl-tetralin-2-yl] ester dihydrochloride Formula: C37H56Cl2FN3O3 MolecularWeight: 680.763243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2=C(CCC1(CCN(C)CCCCCCCCCCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F.Cl.Cl

Isomeric SMILES

CC(C)C1C2=C(CCC1(CCN(C)CCCCCCCCCCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F.Cl.Cl

InChI

InChI=1S/C37H54FN3O3.2ClH/c1-28(2)36-31-20-19-30(38)26-29(31)21-22-37(36,44-35(42)27-43-4)23-25-41(3)24-15-11-9-7-5-6-8-10-12-18-34-39-32-16-13-14-17-33(32)40-34;;/h13-14,16-17,19-20,26,28,36H,5-12,15,18,21-25,27H2,1-4H3,(H,39,40);2*1H