2-[1-(2,5-dibenzamido-4-cyano-pentanoyl)piperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-(2,5-dibenzamido-4-cyano-pentanoyl)piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-(2,5-dibenzamido-4-cyano-pentanoyl)-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-(2,5-dibenzamido-4-cyano-1-oxopentyl)-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-(2,5-dibenzamido-4-cyanopentanoyl)piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-(2,5-dibenzamido-4-cyano-pentanoyl)-4-piperidyl]oxy]acetic acid Formula: C27H30N4O6 MolecularWeight: 506.5503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC(=O)O)C(=O)C(CC(CNC(=O)C2=CC=CC=C2)C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1OCC(=O)O)C(=O)C(CC(CNC(=O)C2=CC=CC=C2)C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H30N4O6/c28-16-19(17-29-25(34)20-7-3-1-4-8-20)15-23(30-26(35)21-9-5-2-6-10-21)27(36)31-13-11-22(12-14-31)37-18-24(32)33/h1-10,19,22-23H,11-15,17-18H2,(H,29,34)(H,30,35)(H,32,33)