tert-butyl 6-[(3-cyclopentyloxy-4-methoxy-phenyl)amino]pyridine-3-carboxylate

Systemtic Name: tert-butyl 6-[(3-cyclopentyloxy-4-methoxy-phenyl)amino]pyridine-3-carboxylate Openeye Name: tert-butyl 6-[3-(cyclopentoxy)-4-methoxy-anilino]pyridine-3-carboxylate CAS Name: 6-(3-cyclopentyloxy-4-methoxyanilino)-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(3-cyclopentyloxy-4-methoxyanilino)pyridine-3-carboxylate Traditional Name: 6-[3-(cyclopentoxy)-4-methoxy-anilino]nicotinic acid tert-butyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CN=C(C=C1)NC2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CN=C(C=C1)NC2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C22H28N2O4/c1-22(2,3)28-21(25)15-9-12-20(23-14-15)24-16-10-11-18(26-4)19(13-16)27-17-7-5-6-8-17/h9-14,17H,5-8H2,1-4H3,(H,23,24)