2-dodecoxypropyl 4-[5-(4-butylphenyl)pyridin-2-yl]benzoate

Systemtic Name: 2-dodecoxypropyl 4-[5-(4-butylphenyl)pyridin-2-yl]benzoate Openeye Name: 2-dodecoxypropyl 4-[5-(4-butylphenyl)-2-pyridyl]benzoate CAS Name: 4-[5-(4-butylphenyl)-2-pyridinyl]benzoic acid 2-dodecoxypropyl ester IUPAC Name: 2-dodecoxypropyl 4-[5-(4-butylphenyl)pyridin-2-yl]benzoate Traditional Name: 4-[5-(4-butylphenyl)-2-pyridyl]benzoic acid 2-lauryloxypropyl ester Formula: C37H51NO3 MolecularWeight: 557.80574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(C)COC(=O)C1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCCCCCCOC(C)COC(=O)C1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C37H51NO3/c1-4-6-8-9-10-11-12-13-14-15-27-40-30(3)29-41-37(39)34-23-21-33(22-24-34)36-26-25-35(28-38-36)32-19-17-31(18-20-32)16-7-5-2/h17-26,28,30H,4-16,27,29H2,1-3H3