2-[3-[3-(2-morpholin-4-ylethylamino)-3-oxidanylidene-propyl]spiro[1,2,4-trioxolane-5,2'-adamantane]-3-yl]ethyl 4-phenylpiperazine-1-carboxylate

Systemtic Name: 2-[3-[3-(2-morpholin-4-ylethylamino)-3-oxidanylidene-propyl]spiro[1,2,4-trioxolane-5,2'-adamantane]-3-yl]ethyl 4-phenylpiperazine-1-carboxylate Openeye Name: 2-[3-[3-(2-morpholinoethylamino)-3-oxo-propyl]spiro[1,2,4-trioxolane-5,2'-adamantane]-3-yl]ethyl 4-phenylpiperazine-1-carboxylate CAS Name: 4-phenyl-1-piperazinecarboxylic acid 2-[3-[3-[2-(4-morpholinyl)ethylamino]-3-oxopropyl]-3-spiro[1,2,4-trioxolane-5,2'-adamantane]yl]ethyl ester IUPAC Name: 2-[3-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]spiro[1,2,4-trioxolane-5,2'-adamantane]-3-yl]ethyl 4-phenylpiperazine-1-carboxylate Traditional Name: 4-phenylpiperazine-1-carboxylic acid 2-[3-[3-keto-3-(2-morpholinoethylamino)propyl]spiro[1,2,4-trioxolane-5,2'-adamantane]-3-yl]ethyl ester Formula: C33H48N4O7 MolecularWeight: 612.75682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)OCCC3(OC4(C5CC6CC(C5)CC4C6)OO3)CCC(=O)NCCN7CCOCC7

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)OCCC3(OC4(C5CC6CC(C5)CC4C6)OO3)CCC(=O)NCCN7CCOCC7

InChI

InChI=1S/C33H48N4O7/c38-30(34-9-10-35-15-18-40-19-16-35)6-7-32(42-33(44-43-32)27-21-25-20-26(23-27)24-28(33)22-25)8-17-41-31(39)37-13-11-36(12-14-37)29-4-2-1-3-5-29/h1-5,25-28H,6-24H2,(H,34,38)