2-[oxidanidyl(pyridin-3-ylmethyl)amino]ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: 2-[oxidanidyl(pyridin-3-ylmethyl)amino]ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: 2-[oxido(3-pyridylmethyl)amino]ethyl 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid 2-[oxido(3-pyridinylmethyl)amino]ethyl ester IUPAC Name: 2-[oxido(pyridin-3-ylmethyl)amino]ethyl 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid 2-[oxido(3-pyridylmethyl)amino]ethyl ester Formula: C18H20ClN2O4- MolecularWeight: 363.8154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCCN(CC1=CN=CC=C1)[O-])OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C(=O)OCCN(CC1=CN=CC=C1)[O-])OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClN2O4/c1-18(2,25-16-7-5-15(19)6-8-16)17(22)24-11-10-21(23)13-14-4-3-9-20-12-14/h3-9,12H,10-11,13H2,1-2H3/q-1