2-[2-[6-(3-azanylpropoxy)naphthalen-2-yl]-6-methyl-pyrimidin-4-yl]oxyethanoic acid hydrochloride

Systemtic Name: 2-[2-[6-(3-azanylpropoxy)naphthalen-2-yl]-6-methyl-pyrimidin-4-yl]oxyethanoic acid hydrochloride Openeye Name: 2-[2-[6-(3-aminopropoxy)-2-naphthyl]-6-methyl-pyrimidin-4-yl]oxyacetic acid hydrochloride CAS Name: 2-[[2-[6-(3-aminopropoxy)-2-naphthalenyl]-6-methyl-4-pyrimidinyl]oxy]acetic acid hydrochloride IUPAC Name: 2-[2-[6-(3-aminopropoxy)naphthalen-2-yl]-6-methylpyrimidin-4-yl]oxyacetic acid hydrochloride Traditional Name: 2-[2-[6-(3-aminopropoxy)-2-naphthyl]-6-methyl-pyrimidin-4-yl]oxyacetic acid hydrochloride Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC3=C(C=C2)C=C(C=C3)OCCCN)OCC(=O)O.Cl

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC3=C(C=C2)C=C(C=C3)OCCCN)OCC(=O)O.Cl

InChI

InChI=1S/C20H21N3O4.ClH/c1-13-9-18(27-12-19(24)25)23-20(22-13)16-4-3-15-11-17(26-8-2-7-21)6-5-14(15)10-16;/h3-6,9-11H,2,7-8,12,21H2,1H3,(H,24,25);1H