ethyl 4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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