(4-phenylmethoxyphenyl) 3-(1-adamantyl)-4-methoxy-benzoate

Systemtic Name: (4-phenylmethoxyphenyl) 3-(1-adamantyl)-4-methoxy-benzoate Openeye Name: (4-benzyloxyphenyl) 3-(1-adamantyl)-4-methoxy-benzoate CAS Name: 3-(1-adamantyl)-4-methoxybenzoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 3-(1-adamantyl)-4-methoxybenzoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzoic acid (4-benzoxyphenyl) ester Formula: C31H32O4 MolecularWeight: 468.58338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H32O4/c1-33-29-12-7-25(16-28(29)31-17-22-13-23(18-31)15-24(14-22)19-31)30(32)35-27-10-8-26(9-11-27)34-20-21-5-3-2-4-6-21/h2-12,16,22-24H,13-15,17-20H2,1H3