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

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-cyano-4-hexoxy-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-cyano-4-hexoxy-benzoate CAS Name: 3-cyano-4-hexoxybenzoic 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-hexoxybenzoate Traditional Name: 3-cyano-4-hexoxy-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C31H32ClNO5 MolecularWeight: 534.04248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=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

CCCCCCOC1=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/C31H32ClNO5/c1-4-5-6-7-18-36-28-17-12-24(19-25(28)20-33)30(34)37-26-13-8-22(9-14-26)23-10-15-27(16-11-23)38-31(35)29(32)21(2)3/h8-17,19,21,29H,4-7,18H2,1-3H3