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

Systemtic Name: 1-(1-phenanthren-9-ylcarbonylpiperidin-4-yl)piperidine-3-carboxylic acid Openeye Name: 1-[1-(phenanthrene-9-carbonyl)-4-piperidyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[oxo(9-phenanthrenyl)methyl]-4-piperidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(phenanthrene-9-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(phenanthrene-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=CC4=CC=CC=C4C5=CC=CC=C53)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C5=CC=CC=C53)C(=O)O

InChI

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