1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C30H40N2O3 MolecularWeight: 476.6502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)OC)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(CCCC(C)(C)OC)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C30H40N2O3/c1-21(12-11-19-30(5,6)35-7)20-25-26(28(33)34)27(22-13-9-8-10-14-22)32(31-25)24-17-15-23(16-18-24)29(2,3)4/h8-10,13-18,21H,11-12,19-20H2,1-7H3,(H,33,34)