methyl 4-[2-(4-dodecylphenyl)-3,4-dihydropyrazol-5-yl]benzoate

Systemtic Name: methyl 4-[2-(4-dodecylphenyl)-3,4-dihydropyrazol-5-yl]benzoate Openeye Name: methyl 4-[2-(4-dodecylphenyl)-3,4-dihydropyrazol-5-yl]benzoate CAS Name: 4-[2-(4-dodecylphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-dodecylphenyl)-3,4-dihydropyrazol-5-yl]benzoate Traditional Name: 4-[1-(4-laurylphenyl)-2-pyrazolin-3-yl]benzoic acid methyl ester Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C29H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-24-14-20-27(21-15-24)31-23-22-28(30-31)25-16-18-26(19-17-25)29(32)33-2/h14-21H,3-13,22-23H2,1-2H3