3-(propanoylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-(propanoylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-(propanoylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid CAS Name: 3-(1-oxopropylamino)-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-(propanoylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-propionamido-4-[4-(2-pyrimidyl)piperazino]benzoic acid Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H21N5O3/c1-2-16(24)21-14-12-13(17(25)26)4-5-15(14)22-8-10-23(11-9-22)18-19-6-3-7-20-18/h3-7,12H,2,8-11H2,1H3,(H,21,24)(H,25,26)