(4-phenylmethoxycarbonylphenyl) 3-(1-adamantyl)-4-butyl-benzoate

Systemtic Name: (4-phenylmethoxycarbonylphenyl) 3-(1-adamantyl)-4-butyl-benzoate Openeye Name: (4-benzyloxycarbonylphenyl) 3-(1-adamantyl)-4-butyl-benzoate CAS Name: 3-(1-adamantyl)-4-butylbenzoic acid (4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (4-phenylmethoxycarbonylphenyl) 3-(1-adamantyl)-4-butylbenzoate Traditional Name: 3-(1-adamantyl)-4-butyl-benzoic acid (4-carbobenzoxyphenyl) ester Formula: C35H38O4 MolecularWeight: 522.67382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C35H38O4/c1-2-3-9-28-10-11-30(19-32(28)35-20-25-16-26(21-35)18-27(17-25)22-35)34(37)39-31-14-12-29(13-15-31)33(36)38-23-24-7-5-4-6-8-24/h4-8,10-15,19,25-27H,2-3,9,16-18,20-23H2,1H3