methyl 2-[[2-(4-phenylpiperazin-1-yl)carbonyl-6-azaspiro[2.5]octan-6-yl]carbonyl]benzoate

Systemtic Name: methyl 2-[[2-(4-phenylpiperazin-1-yl)carbonyl-6-azaspiro[2.5]octan-6-yl]carbonyl]benzoate Openeye Name: methyl 2-[2-(4-phenylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]benzoate CAS Name: 2-[oxo-[2-[oxo-(4-phenyl-1-piperazinyl)methyl]-6-azaspiro[2.5]octan-6-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-phenylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]benzoate Traditional Name: 2-[2-(4-phenylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]benzoic acid methyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N2CCC3(CC2)CC3C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCC3(CC2)CC3C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N3O4/c1-34-26(33)22-10-6-5-9-21(22)24(31)29-13-11-27(12-14-29)19-23(27)25(32)30-17-15-28(16-18-30)20-7-3-2-4-8-20/h2-10,23H,11-19H2,1H3