2-[4-[3-(6-methoxyquinolin-4-yl)propyl]-1-(3-pyrimidin-4-ylpropyl)piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(6-methoxyquinolin-4-yl)propyl]-1-(3-pyrimidin-4-ylpropyl)piperidin-3-yl]ethanoic acid Openeye Name: 2-[4-[3-(6-methoxy-4-quinolyl)propyl]-1-(3-pyrimidin-4-ylpropyl)-3-piperidyl]acetic acid CAS Name: 2-[4-[3-(6-methoxy-4-quinolinyl)propyl]-1-[3-(4-pyrimidinyl)propyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[4-[3-(6-methoxyquinolin-4-yl)propyl]-1-(3-pyrimidin-4-ylpropyl)piperidin-3-yl]acetic acid Traditional Name: 2-[4-[3-(6-methoxy-4-quinolyl)propyl]-1-[3-(4-pyrimidyl)propyl]-3-piperidyl]acetic acid Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCCC3CCN(CC3CC(=O)O)CCCC4=NC=NC=C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCCC3CCN(CC3CC(=O)O)CCCC4=NC=NC=C4

InChI

InChI=1S/C27H34N4O3/c1-34-24-7-8-26-25(17-24)21(9-13-29-26)5-2-4-20-11-15-31(18-22(20)16-27(32)33)14-3-6-23-10-12-28-19-30-23/h7-10,12-13,17,19-20,22H,2-6,11,14-16,18H2,1H3,(H,32,33)