6-[(3S)-3-[(4-oxidanylcyclohexyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(3S)-3-[(4-oxidanylcyclohexyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[(3S)-3-[(4-hydroxycyclohexyl)carbamoyl]-1-piperidyl]pyridine-3-carboxylic acid CAS Name: 6-[(3S)-3-[[(4-hydroxycyclohexyl)amino]-oxomethyl]-1-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[(3S)-3-[(4-hydroxycyclohexyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[(3S)-3-[(4-hydroxycyclohexyl)carbamoyl]piperidino]nicotinic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C=C2)C(=O)O)C(=O)NC3CCC(CC3)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=C(C=C2)C(=O)O)C(=O)NC3CCC(CC3)O

InChI

InChI=1S/C18H25N3O4/c22-15-6-4-14(5-7-15)20-17(23)13-2-1-9-21(11-13)16-8-3-12(10-19-16)18(24)25/h3,8,10,13-15,22H,1-2,4-7,9,11H2,(H,20,23)(H,24,25)/t13-,14?,15?/m0/s1