tert-butyl 2-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: tert-butyl 2-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: tert-butyl 2-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoate CAS Name: 2-[3-cyclopentyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoate Traditional Name: 2-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid tert-butyl ester Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C29H34N2O4/c1-29(2,3)35-28(32)24-13-7-8-14-25(24)31(20-21-10-9-17-30-19-21)22-15-16-26(33-4)27(18-22)34-23-11-5-6-12-23/h7-10,13-19,23H,5-6,11-12,20H2,1-4H3