2-[[4-[2-oxidanylidene-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]phenyl]methyl]pentanoic acid

Systemtic Name: 2-[[4-[2-oxidanylidene-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]phenyl]methyl]pentanoic acid Openeye Name: 2-[[4-[2-oxo-3-[2-(4-piperidyl)ethyl]imidazolidin-4-yl]phenyl]methyl]pentanoic acid CAS Name: 2-[[4-[2-oxo-3-[2-(4-piperidinyl)ethyl]-4-imidazolidinyl]phenyl]methyl]pentanoic acid IUPAC Name: 2-[[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]phenyl]methyl]pentanoic acid Traditional Name: 2-[4-[2-keto-3-[2-(4-piperidyl)ethyl]imidazolidin-4-yl]benzyl]valeric acid Formula: C22H33N3O3 MolecularWeight: 387.51572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C2CNC(=O)N2CCC3CCNCC3)C(=O)O

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C2CNC(=O)N2CCC3CCNCC3)C(=O)O

InChI

InChI=1S/C22H33N3O3/c1-2-3-19(21(26)27)14-17-4-6-18(7-5-17)20-15-24-22(28)25(20)13-10-16-8-11-23-12-9-16/h4-7,16,19-20,23H,2-3,8-15H2,1H3,(H,24,28)(H,26,27)