methyl 4-[(2-methyl-2-adamantyl)carbonyl]benzoate

Systemtic Name: methyl 4-[(2-methyl-2-adamantyl)carbonyl]benzoate Openeye Name: methyl 4-(2-methyladamantane-2-carbonyl)benzoate CAS Name: 4-[(2-methyl-2-adamantyl)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(2-methyladamantane-2-carbonyl)benzoate Traditional Name: 4-(2-methyladamantane-2-carbonyl)benzoic acid methyl ester Formula: C20H24O3 MolecularWeight: 312.40276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC3CC(C2)CC1C3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1(C2CC3CC(C2)CC1C3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C20H24O3/c1-20(16-8-12-7-13(10-16)11-17(20)9-12)18(21)14-3-5-15(6-4-14)19(22)23-2/h3-6,12-13,16-17H,7-11H2,1-2H3