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

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

Click to see the large picture

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)OC)OC4CCCC4

Isomeric SMILES

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

InChI

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