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

Systemtic Name: 2-[2-[3-(6-methoxyquinolin-4-yl)propyl]-1-prop-2-ynyl-piperidin-3-yl]ethanoic acid Openeye Name: 2-[2-[3-(6-methoxy-4-quinolyl)propyl]-1-prop-2-ynyl-3-piperidyl]acetic acid CAS Name: 2-[2-[3-(6-methoxy-4-quinolinyl)propyl]-1-prop-2-ynyl-3-piperidinyl]acetic acid IUPAC Name: 2-[2-[3-(6-methoxyquinolin-4-yl)propyl]-1-prop-2-ynylpiperidin-3-yl]acetic acid Traditional Name: 2-[2-[3-(6-methoxy-4-quinolyl)propyl]-1-propargyl-3-piperidyl]acetic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCCC3C(CCCN3CC#C)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCCC3C(CCCN3CC#C)CC(=O)O

InChI

InChI=1S/C23H28N2O3/c1-3-13-25-14-5-7-18(15-23(26)27)22(25)8-4-6-17-11-12-24-21-10-9-19(28-2)16-20(17)21/h1,9-12,16,18,22H,4-8,13-15H2,2H3,(H,26,27)