2-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-(3-pyridylmethylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[oxo-[4-[oxo-(3-pyridinylmethylamino)methyl]anilino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[4-(3-pyridylmethylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C21H23N3O4/c25-19(23-13-14-4-3-11-22-12-14)15-7-9-16(10-8-15)24-20(26)17-5-1-2-6-18(17)21(27)28/h3-4,7-12,17-18H,1-2,5-6,13H2,(H,23,25)(H,24,26)(H,27,28)