2-[4-[4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]carbonyl-1,4-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]carbonyl-1,4-diazepan-1-yl]ethanoic acid Openeye Name: 2-[4-[4-(3-pyridylmethylcarbamoyl)cyclohexanecarbonyl]-1,4-diazepan-1-yl]acetic acid CAS Name: 2-[4-[oxo-[4-[oxo-(3-pyridinylmethylamino)methyl]cyclohexyl]methyl]-1,4-diazepan-1-yl]acetic acid IUPAC Name: 2-[4-[4-(pyridin-3-ylmethylcarbamoyl)cyclohexanecarbonyl]-1,4-diazepan-1-yl]acetic acid Traditional Name: 2-[4-[4-(3-pyridylmethylcarbamoyl)cyclohexanecarbonyl]-1,4-diazepan-1-yl]acetic acid Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCC(CC2)C(=O)NCC3=CN=CC=C3)CC(=O)O

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCC(CC2)C(=O)NCC3=CN=CC=C3)CC(=O)O

InChI

InChI=1S/C21H30N4O4/c26-19(27)15-24-9-2-10-25(12-11-24)21(29)18-6-4-17(5-7-18)20(28)23-14-16-3-1-8-22-13-16/h1,3,8,13,17-18H,2,4-7,9-12,14-15H2,(H,23,28)(H,26,27)