2-(3,5-dimethylphenyl)-2-[4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenyl-piperidin-1-yl]ethanoic acid

Systemtic Name: 2-(3,5-dimethylphenyl)-2-[4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenyl-piperidin-1-yl]ethanoic acid Openeye Name: 2-(3,5-dimethylphenyl)-2-[4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenyl-1-piperidyl]acetic acid CAS Name: 2-(3,5-dimethylphenyl)-2-[4-[2-[(1R,5S)-3-(2-methyl-1-benzimidazolyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenyl-1-piperidinyl]acetic acid IUPAC Name: 2-(3,5-dimethylphenyl)-2-[4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]acetic acid Traditional Name: 2-(3,5-dimethylphenyl)-2-[4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenyl-piperidino]acetic acid Formula: C38H46N4O2 MolecularWeight: 590.79744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C(=O)O)N2CCC(CC2)(CCN3C4CCC3CC(C4)N5C(=NC6=CC=CC=C65)C)C7=CC=CC=C7)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C(=O)O)N2CCC(CC2)(CCN3[C@@H]4CC[C@H]3CC(C4)N5C(=NC6=CC=CC=C65)C)C7=CC=CC=C7)C

InChI

InChI=1S/C38H46N4O2/c1-26-21-27(2)23-29(22-26)36(37(43)44)40-18-15-38(16-19-40,30-9-5-4-6-10-30)17-20-41-31-13-14-32(41)25-33(24-31)42-28(3)39-34-11-7-8-12-35(34)42/h4-12,21-23,31-33,36H,13-20,24-25H2,1-3H3,(H,43,44)/t31-,32+,33?,36?