(3-phenoxyphenyl)methyl 2-propan-2-ylpentanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-propan-2-ylpentanoate Openeye Name: (3-phenoxyphenyl)methyl 2-isopropylpentanoate CAS Name: 2-propan-2-ylpentanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-propan-2-ylpentanoate Traditional Name: 2-isopropylvaleric acid (3-phenoxybenzyl) ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CCCC(C(C)C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H26O3/c1-4-9-20(16(2)3)21(22)23-15-17-10-8-13-19(14-17)24-18-11-6-5-7-12-18/h5-8,10-14,16,20H,4,9,15H2,1-3H3