(3R)-1-(1-anthracen-9-ylcarbonylpiperidin-4-yl)piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-(1-anthracen-9-ylcarbonylpiperidin-4-yl)piperidine-3-carboxylic acid Openeye Name: (3R)-1-[1-(anthracene-9-carbonyl)-4-piperidyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[1-[9-anthracenyl(oxo)methyl]-4-piperidinyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[1-(anthracene-9-carbonyl)-4-piperidyl]nipecotic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)O

Isomeric SMILES

C1C[C@H](CN(C1)C2CCN(CC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C26H28N2O3/c29-25(24-22-9-3-1-6-18(22)16-19-7-2-4-10-23(19)24)27-14-11-21(12-15-27)28-13-5-8-20(17-28)26(30)31/h1-4,6-7,9-10,16,20-21H,5,8,11-15,17H2,(H,30,31)/t20-/m1/s1