ethyl 4-[2-(4-butan-2-ylphenoxy)ethanoyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[2-(4-butan-2-ylphenoxy)ethanoyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[3-pyridylmethyl-[2-(4-sec-butylphenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[3-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=CN=CC=C2)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

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

InChI

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