2-[4-[4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[4-(3-pyridylmethylcarbamoyl)cyclohexanecarbonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[oxo-[4-[oxo-(3-pyridinylmethylamino)methyl]cyclohexyl]methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[4-(pyridin-3-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[4-(3-pyridylmethylcarbamoyl)cyclohexanecarbonyl]piperazino]acetic acid Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NCC2=CN=CC=C2)C(=O)N3CCN(CC3)CC(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NCC2=CN=CC=C2)C(=O)N3CCN(CC3)CC(=O)O

InChI

InChI=1S/C20H28N4O4/c25-18(26)14-23-8-10-24(11-9-23)20(28)17-5-3-16(4-6-17)19(27)22-13-15-2-1-7-21-12-15/h1-2,7,12,16-17H,3-6,8-11,13-14H2,(H,22,27)(H,25,26)