3-[4-(phenylmethyl)piperidin-1-yl]carbonylpyrazine-2-carboxylic acid

Systemtic Name: 3-[4-(phenylmethyl)piperidin-1-yl]carbonylpyrazine-2-carboxylic acid Openeye Name: 3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid Traditional Name: 3-(4-benzylpiperidine-1-carbonyl)pyrazinoic acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C18H19N3O3/c22-17(15-16(18(23)24)20-9-8-19-15)21-10-6-14(7-11-21)12-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2,(H,23,24)