[4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 2-octan-4-yloxybenzoate

Systemtic Name: [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 2-octan-4-yloxybenzoate Openeye Name: [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 2-(1-propylpentoxy)benzoate CAS Name: 2-octan-4-yloxybenzoic acid [4-[4-[2-methylbutoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 2-octan-4-yloxybenzoate Traditional Name: 2-(1-propylpentoxy)benzoic acid [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] ester Formula: C33H40O5 MolecularWeight: 516.6677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCC(C)CC

Isomeric SMILES

CCCCC(CCC)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCC(C)CC

InChI

InChI=1S/C33H40O5/c1-5-8-12-28(11-6-2)37-31-14-10-9-13-30(31)33(35)38-29-21-19-26(20-22-29)25-15-17-27(18-16-25)32(34)36-23-24(4)7-3/h9-10,13-22,24,28H,5-8,11-12,23H2,1-4H3