1-ethyl-4-oxidanylidene-6-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxylic acid

Systemtic Name: 1-ethyl-4-oxidanylidene-6-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxylic acid Openeye Name: 1-ethyl-4-oxo-6-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxylic acid CAS Name: 1-ethyl-4-oxo-6-[4-(1-pyrrolidinyl)phenyl]-3-pyridinecarboxylic acid IUPAC Name: 1-ethyl-4-oxo-6-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-6-(4-pyrrolidinophenyl)nicotinic acid Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C=C1C2=CC=C(C=C2)N3CCCC3)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C=C1C2=CC=C(C=C2)N3CCCC3)C(=O)O

InChI

InChI=1S/C18H20N2O3/c1-2-19-12-15(18(22)23)17(21)11-16(19)13-5-7-14(8-6-13)20-9-3-4-10-20/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,23)