4-[(3R)-1-(1-anthracen-9-ylcarbonylpiperidin-4-yl)piperidin-3-yl]carbonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[(3R)-1-(1-anthracen-9-ylcarbonylpiperidin-4-yl)piperidin-3-yl]carbonylpiperazine-1-carboxylic acid Openeye Name: 4-[(3R)-1-[1-(anthracene-9-carbonyl)-4-piperidyl]piperidine-3-carbonyl]piperazine-1-carboxylic acid CAS Name: 4-[[(3R)-1-[1-[9-anthracenyl(oxo)methyl]-4-piperidinyl]-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazine-1-carboxylic acid Traditional Name: 4-[(3R)-1-[1-(anthracene-9-carbonyl)-4-piperidyl]nipecotoyl]piperazine-1-carboxylic acid Formula: C31H36N4O4 MolecularWeight: 528.64194

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)N6CCN(CC6)C(=O)O

Isomeric SMILES

C1C[C@H](CN(C1)C2CCN(CC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)N6CCN(CC6)C(=O)O

InChI

InChI=1S/C31H36N4O4/c36-29(33-16-18-34(19-17-33)31(38)39)24-8-5-13-35(21-24)25-11-14-32(15-12-25)30(37)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2,(H,38,39)/t24-/m1/s1