3-(dimethylaminomethyl)pentadecan-2-yl adamantane-1-carboxylate

Systemtic Name: 3-(dimethylaminomethyl)pentadecan-2-yl adamantane-1-carboxylate Openeye Name: [2-(dimethylaminomethyl)-1-methyl-tetradecyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid 3-(dimethylaminomethyl)pentadecan-2-yl ester IUPAC Name: 3-(dimethylaminomethyl)pentadecan-2-yl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(dimethylaminomethyl)-1-methyl-tetradecyl] ester Formula: C29H53NO2 MolecularWeight: 447.73662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CN(C)C)C(C)OC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCCCCCCCCCCCC(CN(C)C)C(C)OC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C29H53NO2/c1-5-6-7-8-9-10-11-12-13-14-15-27(22-30(3)4)23(2)32-28(31)29-19-24-16-25(20-29)18-26(17-24)21-29/h23-27H,5-22H2,1-4H3