ethyl 4-[2-(4-tert-butylphenoxy)ethanoyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[2-(4-tert-butylphenoxy)ethanoyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[2-(4-tert-butylphenoxy)-1-oxoethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[[2-(4-tert-butylphenoxy)acetyl]-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H30N2O4/c1-5-32-26(31)21-6-10-23(11-7-21)29(18-20-14-16-28-17-15-20)25(30)19-33-24-12-8-22(9-13-24)27(2,3)4/h6-17H,5,18-19H2,1-4H3