3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl 2-[(5S,7R)-3-methyl-1-adamantyl]ethanoate

Systemtic Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl 2-[(5S,7R)-3-methyl-1-adamantyl]ethanoate Openeye Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl 2-[(5S,7R)-3-methyl-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-methyl-1-adamantyl]acetic acid 3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl 2-[(5S,7R)-3-methyl-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-methyl-1-adamantyl]acetic acid 3-[4-(2-methoxyphenyl)piperazino]propyl ester Formula: C27H40N2O3 MolecularWeight: 440.6181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)CC(=O)OCCCN4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC12C[C@H]3C[C@@H](C1)CC(C3)(C2)CC(=O)OCCCN4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C27H40N2O3/c1-26-15-21-14-22(16-26)18-27(17-21,20-26)19-25(30)32-13-5-8-28-9-11-29(12-10-28)23-6-3-4-7-24(23)31-2/h3-4,6-7,21-22H,5,8-20H2,1-2H3/t21-,22+,26?,27?