2-[[3-[[5-(4-chloranylphenoxy)pyrimidin-2-yl]amino]-3-phenyl-propyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-[[5-(4-chloranylphenoxy)pyrimidin-2-yl]amino]-3-phenyl-propyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-[[5-(4-chlorophenoxy)pyrimidin-2-yl]amino]-3-phenyl-propyl]-methyl-amino]acetic acid CAS Name: 2-[[3-[[5-(4-chlorophenoxy)-2-pyrimidinyl]amino]-3-phenylpropyl]-methylamino]acetic acid IUPAC Name: 2-[[3-[[5-(4-chlorophenoxy)pyrimidin-2-yl]amino]-3-phenylpropyl]-methylamino]acetic acid Traditional Name: 2-[[3-[[5-(4-chlorophenoxy)pyrimidin-2-yl]amino]-3-phenyl-propyl]-methyl-amino]acetic acid Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(C1=CC=CC=C1)NC2=NC=C(C=N2)OC3=CC=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CN(CCC(C1=CC=CC=C1)NC2=NC=C(C=N2)OC3=CC=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C22H23ClN4O3/c1-27(15-21(28)29)12-11-20(16-5-3-2-4-6-16)26-22-24-13-19(14-25-22)30-18-9-7-17(23)8-10-18/h2-10,13-14,20H,11-12,15H2,1H3,(H,28,29)(H,24,25,26)