(E)-3-[3-aminocarbonyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-aminocarbonyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-carbamoyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-carbamoyl-5-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-carbamoyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-carbamoyl-5-[[4-(2-pyrimidyl)piperazino]methyl]phenyl]acrylic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC(=C2)C(=O)N)C=CC(=O)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC(=C2)C(=O)N)/C=C/C(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C19H21N5O3/c20-18(27)16-11-14(2-3-17(25)26)10-15(12-16)13-23-6-8-24(9-7-23)19-21-4-1-5-22-19/h1-5,10-12H,6-9,13H2,(H2,20,27)(H,25,26)/b3-2+