methyl 2-[8-[4-butyl-2-(4-chloranylphenoxy)pyrimidin-5-yl]naphthalen-2-yl]oxyethanoate

Systemtic Name: methyl 2-[8-[4-butyl-2-(4-chloranylphenoxy)pyrimidin-5-yl]naphthalen-2-yl]oxyethanoate Openeye Name: methyl 2-[[8-[4-butyl-2-(4-chlorophenoxy)pyrimidin-5-yl]-2-naphthyl]oxy]acetate CAS Name: 2-[[8-[4-butyl-2-(4-chlorophenoxy)-5-pyrimidinyl]-2-naphthalenyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[8-[4-butyl-2-(4-chlorophenoxy)pyrimidin-5-yl]naphthalen-2-yl]oxyacetate Traditional Name: 2-[8-[4-butyl-2-(4-chlorophenoxy)pyrimidin-5-yl]-2-naphthoxy]acetic acid methyl ester Formula: C27H25ClN2O4 MolecularWeight: 476.9514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC=C1C2=CC=CC3=C2C=C(C=C3)OCC(=O)OC)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=NC(=NC=C1C2=CC=CC3=C2C=C(C=C3)OCC(=O)OC)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H25ClN2O4/c1-3-4-8-25-24(16-29-27(30-25)34-20-13-10-19(28)11-14-20)22-7-5-6-18-9-12-21(15-23(18)22)33-17-26(31)32-2/h5-7,9-16H,3-4,8,17H2,1-2H3