N-[4-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-2-methyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[4-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-2-methyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-1-formyl-1-methyl-propyl]-2-methoxy-benzamide CAS Name: N-[4-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-2-methyl-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[4-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-2-methyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-1-formyl-1-methyl-propyl]-2-methoxy-benzamide Formula: C27H24ClNO3 MolecularWeight: 445.93736

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)Cl)(C=O)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(CCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)Cl)(C=O)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C27H24ClNO3/c1-27(19-30,29-26(31)24-5-3-4-6-25(24)32-2)18-17-22-11-9-20(10-12-22)7-8-21-13-15-23(28)16-14-21/h3-6,9-16,19H,17-18H2,1-2H3,(H,29,31)