3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: 3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: 3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]acrylic acid Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O2/c1-15-8-9-18(12-16(15)2)21-19(10-11-20(24)25)14-23(22-21)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,24,25)