[4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-cyano-4-octyl-benzoate

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-cyano-4-octyl-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-cyano-4-octyl-benzoate CAS Name: 3-cyano-4-octylbenzoic acid [4-[4-(2-chloro-3-methyl-1-oxobutoxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-chloro-3-methylbutanoyl)oxyphenyl]phenyl] 3-cyano-4-octylbenzoate Traditional Name: 3-cyano-4-octyl-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C33H36ClNO4 MolecularWeight: 546.09624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)C#N

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)C#N

InChI

InChI=1S/C33H36ClNO4/c1-4-5-6-7-8-9-10-24-11-12-27(21-28(24)22-35)32(36)38-29-17-13-25(14-18-29)26-15-19-30(20-16-26)39-33(37)31(34)23(2)3/h11-21,23,31H,4-10H2,1-3H3