(E)-2-benzamido-3-[3-methyl-1-(3-methylphenyl)-5-phenyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[3-methyl-1-(3-methylphenyl)-5-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-methyl-1-(m-tolyl)-5-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-methyl-1-(3-methylphenyl)-5-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-methyl-1-(3-methylphenyl)-5-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-methyl-1-(m-tolyl)-5-phenyl-pyrazol-4-yl]acrylic acid Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(=N2)C)C=C(C(=O)O)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(=N2)C)/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O3/c1-18-10-9-15-22(16-18)30-25(20-11-5-3-6-12-20)23(19(2)29-30)17-24(27(32)33)28-26(31)21-13-7-4-8-14-21/h3-17H,1-2H3,(H,28,31)(H,32,33)/b24-17+