3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: 3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoic acid Openeye Name: 3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid CAS Name: 3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-2-propenoic acid IUPAC Name: 3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoic acid Traditional Name: 3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=CC(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=CC(=O)O

InChI

InChI=1S/C15H19N3O2/c1-10(2)18-14(7-8-16-18)17-11(3)9-13(12(17)4)5-6-15(19)20/h5-10H,1-4H3,(H,19,20)