2-(pyridin-3-ylcarbonylamino)ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate hydrochloride

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate hydrochloride Openeye Name: 2-(pyridine-3-carbonylamino)ethyl 2-(4-chlorophenoxy)-2-methyl-propanoate hydrochloride CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester hydrochloride IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate hydrochloride Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid 2-nicotinamidoethyl ester hydrochloride Formula: C18H20Cl2N2O4 MolecularWeight: 399.2684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCCNC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl.Cl

Isomeric SMILES

CC(C)(C(=O)OCCNC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl.Cl

InChI

InChI=1S/C18H19ClN2O4.ClH/c1-18(2,25-15-7-5-14(19)6-8-15)17(23)24-11-10-21-16(22)13-4-3-9-20-12-13;/h3-9,12H,10-11H2,1-2H3,(H,21,22);1H