ethyl 4-[2-(2-chloranyl-4,6-dimethyl-phenoxy)ethanoyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[2-(2-chloranyl-4,6-dimethyl-phenoxy)ethanoyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[2-(2-chloro-4,6-dimethyl-phenoxy)acetyl]-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[2-(2-chloro-4,6-dimethylphenoxy)-1-oxoethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[[2-(2-chloro-4,6-dimethyl-phenoxy)acetyl]-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=O)COC3=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=O)COC3=C(C=C(C=C3Cl)C)C

InChI

InChI=1S/C25H25ClN2O4/c1-4-31-25(30)20-7-9-21(10-8-20)28(15-19-6-5-11-27-14-19)23(29)16-32-24-18(3)12-17(2)13-22(24)26/h5-14H,4,15-16H2,1-3H3