methyl 4-[[2-(1-adamantyl)ethanoyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1-adamantyl)ethanoyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1-adamantyl)acetyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[2-(1-adamantyl)-1-oxoethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1-adamantyl)acetyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[2-(1-adamantyl)acetyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO3/c1-23(14-15-3-5-19(6-4-15)21(25)26-2)20(24)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,16-18H,7-14H2,1-2H3