(4-piperazin-1-ylphenyl) 4-dodecoxybenzoate

Systemtic Name: (4-piperazin-1-ylphenyl) 4-dodecoxybenzoate Openeye Name: (4-piperazin-1-ylphenyl) 4-dodecoxybenzoate CAS Name: 4-dodecoxybenzoic acid [4-(1-piperazinyl)phenyl] ester IUPAC Name: (4-piperazin-1-ylphenyl) 4-dodecoxybenzoate Traditional Name: 4-lauryloxybenzoic acid (4-piperazinophenyl) ester Formula: C29H42N2O3 MolecularWeight: 466.65538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C29H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-24-33-27-16-12-25(13-17-27)29(32)34-28-18-14-26(15-19-28)31-22-20-30-21-23-31/h12-19,30H,2-11,20-24H2,1H3