2-cyclohexyl-2-[3-[[4-(3-pyrimidin-2-ylpropylamino)piperidin-1-yl]methyl]-4-thiophen-3-yl-pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-cyclohexyl-2-[3-[[4-(3-pyrimidin-2-ylpropylamino)piperidin-1-yl]methyl]-4-thiophen-3-yl-pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-[[4-(3-pyrimidin-2-ylpropylamino)-1-piperidyl]methyl]-4-(3-thienyl)pyrrolidin-1-yl]acetic acid CAS Name: 2-cyclohexyl-2-[3-[[4-[3-(2-pyrimidinyl)propylamino]-1-piperidinyl]methyl]-4-(3-thiophenyl)-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-[[4-(3-pyrimidin-2-ylpropylamino)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-[[4-[3-(2-pyrimidyl)propylamino]piperidino]methyl]-4-(3-thienyl)pyrrolidino]acetic acid Formula: C29H43N5O2S MolecularWeight: 525.74902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CSC=C3)CN4CCC(CC4)NCCCC5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CSC=C3)CN4CCC(CC4)NCCCC5=NC=CC=N5

InChI

InChI=1S/C29H43N5O2S/c35-29(36)28(22-6-2-1-3-7-22)34-19-24(26(20-34)23-11-17-37-21-23)18-33-15-9-25(10-16-33)30-12-4-8-27-31-13-5-14-32-27/h5,11,13-14,17,21-22,24-26,28,30H,1-4,6-10,12,15-16,18-20H2,(H,35,36)