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

Systemtic Name: tert-butyl 6-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]pyridine-3-carboxylate Openeye Name: tert-butyl 6-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]pyridine-3-carboxylate CAS Name: 6-[3-cyclopentyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]pyridine-3-carboxylate Traditional Name: 6-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]nicotinic acid tert-butyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O4/c1-28(2,3)35-27(32)21-11-14-26(30-18-21)31(19-20-8-7-15-29-17-20)22-12-13-24(33-4)25(16-22)34-23-9-5-6-10-23/h7-8,11-18,23H,5-6,9-10,19H2,1-4H3