3-[(E)-2-(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)ethenyl]benzoic acid

Systemtic Name: 3-[(E)-2-(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)ethenyl]benzoic acid Openeye Name: 3-[(E)-2-(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)vinyl]benzoic acid CAS Name: 3-[(E)-2-[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]ethenyl]benzoic acid IUPAC Name: 3-[(E)-2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)ethenyl]benzoic acid Traditional Name: 3-[(E)-2-(4-methyl-6-pyrrolidino-pyrimidin-2-yl)vinyl]benzoic acid Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C=CC2=CC(=CC=C2)C(=O)O)N3CCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)/C=C/C2=CC(=CC=C2)C(=O)O)N3CCCC3

InChI

InChI=1S/C18H19N3O2/c1-13-11-17(21-9-2-3-10-21)20-16(19-13)8-7-14-5-4-6-15(12-14)18(22)23/h4-8,11-12H,2-3,9-10H2,1H3,(H,22,23)/b8-7+