methyl 4-[6-(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)pyridin-3-yl]benzoate

Systemtic Name: methyl 4-[6-(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)pyridin-3-yl]benzoate Openeye Name: methyl 4-[6-(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-pyridyl]benzoate CAS Name: 4-[6-(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)pyridin-3-yl]benzoate Traditional Name: 4-[6-(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-pyridyl]benzoic acid methyl ester Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CN=C(C=C2)N3CCC4(CCN(CC4)C5CCC5)CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CN=C(C=C2)N3CCC4(CCN(CC4)C5CCC5)CC3

InChI

InChI=1S/C26H33N3O2/c1-31-25(30)21-7-5-20(6-8-21)22-9-10-24(27-19-22)29-17-13-26(14-18-29)11-15-28(16-12-26)23-3-2-4-23/h5-10,19,23H,2-4,11-18H2,1H3