2-[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]oxyethyl pyridine-3-carboxylate

Systemtic Name: 2-[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]oxyethyl pyridine-3-carboxylate Openeye Name: 2-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]oxyethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methyl-1-oxopropoxy]ethyl ester IUPAC Name: 2-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxyethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]oxyethyl ester Formula: C25H22ClNO6 MolecularWeight: 467.89828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)OCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H22ClNO6/c1-25(2,24(30)32-15-14-31-23(29)19-4-3-13-27-16-19)33-21-11-7-18(8-12-21)22(28)17-5-9-20(26)10-6-17/h3-13,16H,14-15H2,1-2H3