3-[(6-cyclopentyloxy-5-methoxy-pyridin-2-yl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[(6-cyclopentyloxy-5-methoxy-pyridin-2-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[[6-(cyclopentoxy)-5-methoxy-2-pyridyl]-(3-pyridylmethyl)amino]benzoic acid CAS Name: 3-[(6-cyclopentyloxy-5-methoxy-2-pyridinyl)-(3-pyridinylmethyl)amino]benzoic acid IUPAC Name: 3-[(6-cyclopentyloxy-5-methoxypyridin-2-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Traditional Name: 3-[[6-(cyclopentoxy)-5-methoxy-2-pyridyl]-(3-pyridylmethyl)amino]benzoic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCCC4

Isomeric SMILES

COC1=C(N=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCCC4

InChI

InChI=1S/C24H25N3O4/c1-30-21-11-12-22(26-23(21)31-20-9-2-3-10-20)27(16-17-6-5-13-25-15-17)19-8-4-7-18(14-19)24(28)29/h4-8,11-15,20H,2-3,9-10,16H2,1H3,(H,28,29)