3-[[3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]propanoylamino]methyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[[3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]propanoylamino]methyl]piperidine-1-carboxylic acid Openeye Name: 3-[[3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]propanoylamino]methyl]piperidine-1-carboxylic acid CAS Name: 3-[[[3-[5-(3,4-dimethoxyphenyl)-2-pyrimidinyl]-1-oxopropyl]amino]methyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[[3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]propanoylamino]methyl]piperidine-1-carboxylic acid Traditional Name: 3-[[3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]propanoylamino]methyl]piperidine-1-carboxylic acid Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(N=C2)CCC(=O)NCC3CCCN(C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(N=C2)CCC(=O)NCC3CCCN(C3)C(=O)O)OC

InChI

InChI=1S/C22H28N4O5/c1-30-18-6-5-16(10-19(18)31-2)17-12-23-20(24-13-17)7-8-21(27)25-11-15-4-3-9-26(14-15)22(28)29/h5-6,10,12-13,15H,3-4,7-9,11,14H2,1-2H3,(H,25,27)(H,28,29)