[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C30H36N2O4 MolecularWeight: 488.61784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C30H36N2O4/c1-35-26-9-7-24(8-10-26)29-16-22-15-23(17-29)19-30(18-22,21-29)28(34)36-20-27(33)32-13-11-31(12-14-32)25-5-3-2-4-6-25/h2-10,22-23H,11-21H2,1H3