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

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl 2-[(5S,7R)-3-methyl-1-adamantyl]ethanoate Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl 2-[(5S,7R)-3-methyl-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-methyl-1-adamantyl]acetic acid 2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl 2-[(5S,7R)-3-methyl-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-methyl-1-adamantyl]acetic acid 2-[4-(2-methoxyphenyl)piperazino]ethyl ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)CC(=O)OCCN4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC12C[C@H]3C[C@@H](C1)CC(C3)(C2)CC(=O)OCCN4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C26H38N2O3/c1-25-14-20-13-21(15-25)17-26(16-20,19-25)18-24(29)31-12-11-27-7-9-28(10-8-27)22-5-3-4-6-23(22)30-2/h3-6,20-21H,7-19H2,1-2H3/t20-,21+,25?,26?