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

Systemtic Name: 3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]carbonylpyrazine-2-carboxylic acid Openeye Name: 3-[4-(4-chlorophenyl)-4-hydroxy-piperidine-1-carbonyl]pyrazine-2-carboxylic acid CAS Name: 3-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]pyrazine-2-carboxylic acid Traditional Name: 3-[4-(4-chlorophenyl)-4-hydroxy-piperidine-1-carbonyl]pyrazinoic acid Formula: C17H16ClN3O4 MolecularWeight: 361.77964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C17H16ClN3O4/c18-12-3-1-11(2-4-12)17(25)5-9-21(10-6-17)15(22)13-14(16(23)24)20-8-7-19-13/h1-4,7-8,25H,5-6,9-10H2,(H,23,24)