tert-butyl 3-[(3-cyclopentyloxy-4-oxidanyl-phenyl)-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: tert-butyl 3-[(3-cyclopentyloxy-4-oxidanyl-phenyl)-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: tert-butyl 3-[3-(cyclopentoxy)-4-hydroxy-N-(3-pyridylmethyl)anilino]benzoate CAS Name: 3-[3-cyclopentyloxy-4-hydroxy-N-(3-pyridinylmethyl)anilino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-cyclopentyloxy-4-hydroxy-N-(pyridin-3-ylmethyl)anilino]benzoate Traditional Name: 3-[3-(cyclopentoxy)-4-hydroxy-N-(3-pyridylmethyl)anilino]benzoic acid tert-butyl ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4/c1-28(2,3)34-27(32)21-9-6-10-22(16-21)30(19-20-8-7-15-29-18-20)23-13-14-25(31)26(17-23)33-24-11-4-5-12-24/h6-10,13-18,24,31H,4-5,11-12,19H2,1-3H3