2-(3-methylphenyl)-3-[5-naphthalen-2-yl-1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanoic acid

Systemtic Name: 2-(3-methylphenyl)-3-[5-naphthalen-2-yl-1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanoic acid Openeye Name: 2-(m-tolyl)-3-[5-(2-naphthyl)-1-(4-pyridylmethyl)pyrazol-3-yl]propanoic acid CAS Name: 2-(3-methylphenyl)-3-[5-(2-naphthalenyl)-1-(pyridin-4-ylmethyl)-3-pyrazolyl]propanoic acid IUPAC Name: 2-(3-methylphenyl)-3-[5-naphthalen-2-yl-1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanoic acid Traditional Name: 2-(m-tolyl)-3-[5-(2-naphthyl)-1-(4-pyridylmethyl)pyrazol-3-yl]propionic acid Formula: C29H25N3O2 MolecularWeight: 447.5277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC4=CC=CC=C4C=C3)CC5=CC=NC=C5)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC4=CC=CC=C4C=C3)CC5=CC=NC=C5)C(=O)O

InChI

InChI=1S/C29H25N3O2/c1-20-5-4-8-24(15-20)27(29(33)34)17-26-18-28(32(31-26)19-21-11-13-30-14-12-21)25-10-9-22-6-2-3-7-23(22)16-25/h2-16,18,27H,17,19H2,1H3,(H,33,34)