2-[[2-(4-methyl-2-phenyl-pentoxy)-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-(4-methyl-2-phenyl-pentoxy)-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-(4-methyl-2-phenyl-pentoxy)-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid CAS Name: 2-[[2-(4-methyl-2-phenylpentoxy)-4-(1-pyrazolylmethyl)phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-(4-methyl-2-phenylpentoxy)-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid Traditional Name: 2-[2-(4-methyl-2-phenyl-pentoxy)-4-(pyrazol-1-ylmethyl)benzyl]benzoic acid Formula: C30H32N2O3 MolecularWeight: 468.58668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(COC1=C(C=CC(=C1)CN2C=CC=N2)CC3=CC=CC=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(COC1=C(C=CC(=C1)CN2C=CC=N2)CC3=CC=CC=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C30H32N2O3/c1-22(2)17-27(24-9-4-3-5-10-24)21-35-29-18-23(20-32-16-8-15-31-32)13-14-26(29)19-25-11-6-7-12-28(25)30(33)34/h3-16,18,22,27H,17,19-21H2,1-2H3,(H,33,34)