4-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzoic acid Openeye Name: 4-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzoic acid CAS Name: 4-[2-[(4-methoxy-2-pyrimidinyl)amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzoic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)NCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=NC(=NC=C1)NCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15N3O3/c1-20-12-7-9-16-14(17-12)15-8-6-10-2-4-11(5-3-10)13(18)19/h2-5,7,9H,6,8H2,1H3,(H,18,19)(H,15,16,17)