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

Systemtic Name: 3-[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]oxypropyl pyridine-3-carboxylate Openeye Name: 3-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]oxypropyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 3-[2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methyl-1-oxopropoxy]propyl ester IUPAC Name: 3-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxypropyl pyridine-3-carboxylate Traditional Name: nicotinic acid 3-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]oxypropyl ester Formula: C26H24ClNO6 MolecularWeight: 481.92486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClNO6/c1-26(2,25(31)33-16-4-15-32-24(30)20-5-3-14-28-17-20)34-22-12-8-19(9-13-22)23(29)18-6-10-21(27)11-7-18/h3,5-14,17H,4,15-16H2,1-2H3