1-methyl-2-(9-oxa-4-azaspiro[5.5]undecan-4-yl)-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylic acid

Systemtic Name: 1-methyl-2-(9-oxa-4-azaspiro[5.5]undecan-4-yl)-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylic acid Openeye Name: 5-benzyloxy-1-methyl-2-(9-oxa-4-azaspiro[5.5]undecan-4-yl)-6-oxo-pyrimidine-4-carboxylic acid CAS Name: 1-methyl-2-(9-oxa-4-azaspiro[5.5]undecan-4-yl)-6-oxo-5-phenylmethoxy-4-pyrimidinecarboxylic acid IUPAC Name: 1-methyl-2-(9-oxa-4-azaspiro[5.5]undecan-4-yl)-6-oxo-5-phenylmethoxypyrimidine-4-carboxylic acid Traditional Name: 5-benzoxy-6-keto-1-methyl-2-(9-oxa-4-azaspiro[5.5]undecan-4-yl)pyrimidine-4-carboxylic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1N2CCCC3(C2)CCOCC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C(=C(N=C1N2CCCC3(C2)CCOCC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O5/c1-24-19(26)18(30-14-16-6-3-2-4-7-16)17(20(27)28)23-21(24)25-11-5-8-22(15-25)9-12-29-13-10-22/h2-4,6-7H,5,8-15H2,1H3,(H,27,28)