1-(4-pyridin-3-ylbutylcarbamoyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-(4-pyridin-3-ylbutylcarbamoyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-[4-(3-pyridyl)butylcarbamoyl]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-[oxo-[4-(3-pyridinyl)butylamino]methyl]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-(4-pyridin-3-ylbutylcarbamoyl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-[4-(3-pyridyl)butylcarbamoyl]cyclohexa-2,4-diene-1-carboxylic acid Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1(C(=O)NCCCCC2=CN=CC=C2)C(=O)O

Isomeric SMILES

C1C=CC=CC1(C(=O)NCCCCC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C17H20N2O3/c20-15(17(16(21)22)9-3-1-4-10-17)19-12-5-2-7-14-8-6-11-18-13-14/h1,3-4,6,8-9,11,13H,2,5,7,10,12H2,(H,19,20)(H,21,22)