[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-6-fluoranyl-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] pentanoate

Systemtic Name: [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-6-fluoranyl-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] pentanoate Openeye Name: [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-6-fluoro-1-isopropyl-tetralin-2-yl] pentanoate CAS Name: pentanoic acid [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] ester IUPAC Name: [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] pentanoate Traditional Name: valeric acid [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-6-fluoro-1-isopropyl-tetralin-2-yl] ester Formula: C31H42FN3O2 MolecularWeight: 507.682483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1(CCC2=C(C1C(C)C)C=CC(=C2)F)CCN(C)CCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCCC(=O)O[C@@]1(CCC2=C([C@@H]1C(C)C)C=CC(=C2)F)CCN(C)CCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C31H42FN3O2/c1-5-6-13-29(36)37-31(17-16-23-21-24(32)14-15-25(23)30(31)22(2)3)18-20-35(4)19-9-12-28-33-26-10-7-8-11-27(26)34-28/h7-8,10-11,14-15,21-22,30H,5-6,9,12-13,16-20H2,1-4H3,(H,33,34)/t30-,31-/m0/s1