3-methyl-2-[3-phenyl-4-[[4-(3-pyrimidin-2-ylpropylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid

Systemtic Name: 3-methyl-2-[3-phenyl-4-[[4-(3-pyrimidin-2-ylpropylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid Openeye Name: 3-methyl-2-[3-phenyl-4-[[4-(3-pyrimidin-2-ylpropylamino)-1-piperidyl]methyl]pyrrolidin-1-yl]butanoic acid CAS Name: 3-methyl-2-[3-phenyl-4-[[4-[3-(2-pyrimidinyl)propylamino]-1-piperidinyl]methyl]-1-pyrrolidinyl]butanoic acid IUPAC Name: 3-methyl-2-[3-phenyl-4-[[4-(3-pyrimidin-2-ylpropylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid Traditional Name: 3-methyl-2-[3-phenyl-4-[[4-[3-(2-pyrimidyl)propylamino]piperidino]methyl]pyrrolidino]butyric acid Formula: C28H41N5O2 MolecularWeight: 479.65744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1CC(C(C1)C2=CC=CC=C2)CN3CCC(CC3)NCCCC4=NC=CC=N4

Isomeric SMILES

CC(C)C(C(=O)O)N1CC(C(C1)C2=CC=CC=C2)CN3CCC(CC3)NCCCC4=NC=CC=N4

InChI

InChI=1S/C28H41N5O2/c1-21(2)27(28(34)35)33-19-23(25(20-33)22-8-4-3-5-9-22)18-32-16-11-24(12-17-32)29-13-6-10-26-30-14-7-15-31-26/h3-5,7-9,14-15,21,23-25,27,29H,6,10-13,16-20H2,1-2H3,(H,34,35)