1-methyl-2-(4-oxa-8-azaspiro[4.5]decan-8-yl)-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylic acid

Systemtic Name: 1-methyl-2-(4-oxa-8-azaspiro[4.5]decan-8-yl)-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylic acid Openeye Name: 5-benzyloxy-1-methyl-2-(4-oxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-pyrimidine-4-carboxylic acid CAS Name: 1-methyl-2-(4-oxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-5-phenylmethoxy-4-pyrimidinecarboxylic acid IUPAC Name: 1-methyl-2-(4-oxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-5-phenylmethoxypyrimidine-4-carboxylic acid Traditional Name: 5-benzoxy-6-keto-1-methyl-2-(4-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxylic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1N2CCC3(CCCO3)CC2)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C(=C(N=C1N2CCC3(CCCO3)CC2)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O5/c1-23-18(25)17(28-14-15-6-3-2-4-7-15)16(19(26)27)22-20(23)24-11-9-21(10-12-24)8-5-13-29-21/h2-4,6-7H,5,8-14H2,1H3,(H,26,27)