methyl 3-(1-adamantyl)-4-(3-oxidanylpropyl)benzoate

Systemtic Name: methyl 3-(1-adamantyl)-4-(3-oxidanylpropyl)benzoate Openeye Name: methyl 3-(1-adamantyl)-4-(3-hydroxypropyl)benzoate CAS Name: 3-(1-adamantyl)-4-(3-hydroxypropyl)benzoic acid methyl ester IUPAC Name: methyl 3-(1-adamantyl)-4-(3-hydroxypropyl)benzoate Traditional Name: 3-(1-adamantyl)-4-(3-hydroxypropyl)benzoic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CCCO)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CCCO)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28O3/c1-24-20(23)18-5-4-17(3-2-6-22)19(10-18)21-11-14-7-15(12-21)9-16(8-14)13-21/h4-5,10,14-16,22H,2-3,6-9,11-13H2,1H3