5-chloranyl-3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-4-yl-amino]-1-(phenylcarbonyl)piperidine-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-4-yl-amino]-1-(phenylcarbonyl)piperidine-2-carboxylic acid Openeye Name: 1-benzoyl-2-[tert-butoxycarbonyl(4-pyridyl)amino]-5-chloro-3-ethoxy-piperidine-2-carboxylic acid CAS Name: 1-benzoyl-5-chloro-3-ethoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-pyridin-4-ylamino]-2-piperidinecarboxylic acid IUPAC Name: 1-benzoyl-5-chloro-3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-4-ylamino]piperidine-2-carboxylic acid Traditional Name: 1-benzoyl-2-[tert-butoxycarbonyl(4-pyridyl)amino]-5-chloro-3-ethoxy-pipecolinic acid Formula: C25H30ClN3O6 MolecularWeight: 503.9752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(CN(C1(C(=O)O)N(C2=CC=NC=C2)C(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC1CC(CN(C1(C(=O)O)N(C2=CC=NC=C2)C(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C25H30ClN3O6/c1-5-34-20-15-18(26)16-28(21(30)17-9-7-6-8-10-17)25(20,22(31)32)29(19-11-13-27-14-12-19)23(33)35-24(2,3)4/h6-14,18,20H,5,15-16H2,1-4H3,(H,31,32)