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

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-cyano-4-heptyl-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-cyano-4-heptyl-benzoate CAS Name: 3-cyano-4-heptylbenzoic 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-heptylbenzoate Traditional Name: 3-cyano-4-heptyl-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C32H34ClNO4 MolecularWeight: 532.06966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=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

CCCCCCCC1=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/C32H34ClNO4/c1-4-5-6-7-8-9-23-10-11-26(20-27(23)21-34)31(35)37-28-16-12-24(13-17-28)25-14-18-29(19-15-25)38-32(36)30(33)22(2)3/h10-20,22,30H,4-9H2,1-3H3