7-[(4-pyrimidin-2-ylphenyl)methylamino]heptanoic acid

Systemtic Name: 7-[(4-pyrimidin-2-ylphenyl)methylamino]heptanoic acid Openeye Name: 7-[(4-pyrimidin-2-ylphenyl)methylamino]heptanoic acid CAS Name: 7-[[4-(2-pyrimidinyl)phenyl]methylamino]heptanoic acid IUPAC Name: 7-[(4-pyrimidin-2-ylphenyl)methylamino]heptanoic acid Traditional Name: 7-[[4-(2-pyrimidyl)benzyl]amino]enanthic acid Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)C2=CC=C(C=C2)CNCCCCCCC(=O)O

Isomeric SMILES

C1=CN=C(N=C1)C2=CC=C(C=C2)CNCCCCCCC(=O)O

InChI

InChI=1S/C18H23N3O2/c22-17(23)6-3-1-2-4-11-19-14-15-7-9-16(10-8-15)18-20-12-5-13-21-18/h5,7-10,12-13,19H,1-4,6,11,14H2,(H,22,23)