2-chloranyl-4-[2-(9-cyclopropylnonoxy)-3-pyrimidin-5-yl-phenyl]-3-methyl-pentanoate

Systemtic Name: 2-chloranyl-4-[2-(9-cyclopropylnonoxy)-3-pyrimidin-5-yl-phenyl]-3-methyl-pentanoate Openeye Name: 2-chloro-4-[2-(9-cyclopropylnonoxy)-3-pyrimidin-5-yl-phenyl]-3-methyl-pentanoate CAS Name: 2-chloro-4-[2-(9-cyclopropylnonoxy)-3-(5-pyrimidinyl)phenyl]-3-methylpentanoate IUPAC Name: 2-chloro-4-[2-(9-cyclopropylnonoxy)-3-pyrimidin-5-ylphenyl]-3-methylpentanoate Traditional Name: 2-chloro-4-[2-(9-cyclopropylnonoxy)-3-(5-pyrimidyl)phenyl]-3-methyl-valerate Formula: C28H38ClN2O3- MolecularWeight: 486.06592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1OCCCCCCCCCC2CC2)C3=CN=CN=C3)C(C)C(C(=O)[O-])Cl

Isomeric SMILES

CC(C1=CC=CC(=C1OCCCCCCCCCC2CC2)C3=CN=CN=C3)C(C)C(C(=O)[O-])Cl

InChI

InChI=1S/C28H39ClN2O3/c1-20(21(2)26(29)28(32)33)24-12-10-13-25(23-17-30-19-31-18-23)27(24)34-16-9-7-5-3-4-6-8-11-22-14-15-22/h10,12-13,17-22,26H,3-9,11,14-16H2,1-2H3,(H,32,33)/p-1