(5-ethanoyl-2-methoxy-phenyl)methyl 3-(3,4-dimethylphenyl)adamantane-1-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-(3,4-dimethylphenyl)adamantane-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-adamantanecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C29H34O4 MolecularWeight: 446.57786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=C(C=CC(=C5)C(=O)C)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=C(C=CC(=C5)C(=O)C)OC)C

InChI

InChI=1S/C29H34O4/c1-18-5-7-25(9-19(18)2)28-12-21-10-22(13-28)15-29(14-21,17-28)27(31)33-16-24-11-23(20(3)30)6-8-26(24)32-4/h5-9,11,21-22H,10,12-17H2,1-4H3