pyridin-3-ylmethyl 2-methyl-2-[4-(phenylmethyl)phenoxy]pentanoate

Systemtic Name: pyridin-3-ylmethyl 2-methyl-2-[4-(phenylmethyl)phenoxy]pentanoate Openeye Name: 3-pyridylmethyl 2-(4-benzylphenoxy)-2-methyl-pentanoate CAS Name: 2-methyl-2-[4-(phenylmethyl)phenoxy]pentanoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 2-(4-benzylphenoxy)-2-methylpentanoate Traditional Name: 2-(4-benzylphenoxy)-2-methyl-valeric acid 3-pyridylmethyl ester Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H27NO3/c1-3-15-25(2,24(27)28-19-22-10-7-16-26-18-22)29-23-13-11-21(12-14-23)17-20-8-5-4-6-9-20/h4-14,16,18H,3,15,17,19H2,1-2H3