2-phenoxy-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pentanoic acid

Systemtic Name: 2-phenoxy-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pentanoic acid Openeye Name: 2-phenoxy-4-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]pentanoic acid CAS Name: 4-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]-2-phenoxypentanoic acid IUPAC Name: 2-phenoxy-4-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoic acid Traditional Name: 2-phenoxy-4-[[1-(4-pyridyl)isonipecotoyl]amino]valeric acid Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)O)OC1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(CC(C(=O)O)OC1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C22H27N3O4/c1-16(15-20(22(27)28)29-19-5-3-2-4-6-19)24-21(26)17-9-13-25(14-10-17)18-7-11-23-12-8-18/h2-8,11-12,16-17,20H,9-10,13-15H2,1H3,(H,24,26)(H,27,28)