[4-(1-cyano-2-methyl-propoxy)carbonylphenyl] 4-(4-octylphenyl)benzoate

Systemtic Name: [4-(1-cyano-2-methyl-propoxy)carbonylphenyl] 4-(4-octylphenyl)benzoate Openeye Name: [4-(1-cyano-2-methyl-propoxy)carbonylphenyl] 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid [4-[(1-cyano-2-methylpropoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(1-cyano-2-methylpropoxy)carbonylphenyl] 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid [4-(1-cyano-2-methyl-propoxy)carbonylphenyl] ester Formula: C33H37NO4 MolecularWeight: 511.65118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C#N)C(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C#N)C(C)C

InChI

InChI=1S/C33H37NO4/c1-4-5-6-7-8-9-10-25-11-13-26(14-12-25)27-15-17-28(18-16-27)32(35)37-30-21-19-29(20-22-30)33(36)38-31(23-34)24(2)3/h11-22,24,31H,4-10H2,1-3H3