octan-2-yl 4-phenylmethoxybenzoate

Systemtic Name: octan-2-yl 4-phenylmethoxybenzoate Openeye Name: 1-methylheptyl 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid 1-methylheptyl ester Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28O3/c1-3-4-5-7-10-18(2)25-22(23)20-13-15-21(16-14-20)24-17-19-11-8-6-9-12-19/h6,8-9,11-16,18H,3-5,7,10,17H2,1-2H3