ethyl 4-[2-(4-butan-2-ylphenoxy)ethanoyl-(pyridin-4-ylmethyl)amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)N(CC2=CC=NC=C2)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)N(CC2=CC=NC=C2)C3=CC=C(C=C3)C(=O)OCC

InChI

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