2-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]pyridine-4-carboxylic acid

Systemtic Name: 2-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]pyridine-4-carboxylic acid Openeye Name: 2-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]pyridine-4-carboxylic acid CAS Name: 2-[3-cyclopentyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]-4-pyridinecarboxylic acid IUPAC Name: 2-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]pyridine-4-carboxylic acid Traditional Name: 2-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]isonicotinic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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