1-(4-phenyl-3-phenylmethoxy-phenyl)ethyl octanoate

Systemtic Name: 1-(4-phenyl-3-phenylmethoxy-phenyl)ethyl octanoate Openeye Name: 1-(3-benzyloxy-4-phenyl-phenyl)ethyl octanoate CAS Name: octanoic acid 1-(4-phenyl-3-phenylmethoxyphenyl)ethyl ester IUPAC Name: 1-(4-phenyl-3-phenylmethoxyphenyl)ethyl octanoate Traditional Name: caprylic acid 1-(3-benzoxy-4-phenyl-phenyl)ethyl ester Formula: C29H34O3 MolecularWeight: 430.57846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)C1=CC(=C(C=C1)C2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)OC(C)C1=CC(=C(C=C1)C2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C29H34O3/c1-3-4-5-6-13-18-29(30)32-23(2)26-19-20-27(25-16-11-8-12-17-25)28(21-26)31-22-24-14-9-7-10-15-24/h7-12,14-17,19-21,23H,3-6,13,18,22H2,1-2H3