tert-butyl 2-[4-[(3-butyl-5-methanoyl-1-propan-2-yl-pyrazol-4-yl)methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[(3-butyl-5-methanoyl-1-propan-2-yl-pyrazol-4-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(3-butyl-5-formyl-1-isopropyl-pyrazol-4-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(3-butyl-5-formyl-1-propan-2-yl-4-pyrazolyl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(3-butyl-5-formyl-1-propan-2-ylpyrazol-4-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-butyl-5-formyl-1-isopropyl-pyrazol-4-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C=O)C(C)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C=O)C(C)C

InChI

InChI=1S/C29H36N2O3/c1-7-8-13-26-25(27(19-32)31(30-26)20(2)3)18-21-14-16-22(17-15-21)23-11-9-10-12-24(23)28(33)34-29(4,5)6/h9-12,14-17,19-20H,7-8,13,18H2,1-6H3