3-[2-(2-benzamido-4-methyl-pentoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(2-benzamido-4-methyl-pentoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(2-benzamido-4-methyl-pentoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-(2-benzamido-4-methylpentoxy)-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-benzamido-4-methylpentoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-(2-benzamido-4-methyl-pentoxy)-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(COC1=C(C=CC(=C1)CN2C=CC=N2)CCC(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(COC1=C(C=CC(=C1)CN2C=CC=N2)CCC(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H31N3O4/c1-19(2)15-23(28-26(32)22-7-4-3-5-8-22)18-33-24-16-20(17-29-14-6-13-27-29)9-10-21(24)11-12-25(30)31/h3-10,13-14,16,19,23H,11-12,15,17-18H2,1-2H3,(H,28,32)(H,30,31)