2-[3-chloranyl-5-[3-(2,2-dimethylpropanoylamino)propyl-propan-2-yl-carbamoyl]phenoxy]ethyl-pyridin-4-yl-carbamic acid

Systemtic Name: 2-[3-chloranyl-5-[3-(2,2-dimethylpropanoylamino)propyl-propan-2-yl-carbamoyl]phenoxy]ethyl-pyridin-4-yl-carbamic acid Openeye Name: 2-[3-chloro-5-[3-(2,2-dimethylpropanoylamino)propyl-isopropyl-carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid CAS Name: 2-[3-chloro-5-[[3-[(2,2-dimethyl-1-oxopropyl)amino]propyl-propan-2-ylamino]-oxomethyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid IUPAC Name: 2-[3-chloro-5-[3-(2,2-dimethylpropanoylamino)propyl-propan-2-ylcarbamoyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid Traditional Name: 2-[3-chloro-5-[isopropyl-[3-(pivaloylamino)propyl]carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid Formula: C26H35ClN4O5 MolecularWeight: 519.0329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCNC(=O)C(C)(C)C)C(=O)C1=CC(=CC(=C1)Cl)OCCN(C2=CC=NC=C2)C(=O)O

Isomeric SMILES

CC(C)N(CCCNC(=O)C(C)(C)C)C(=O)C1=CC(=CC(=C1)Cl)OCCN(C2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C26H35ClN4O5/c1-18(2)30(12-6-9-29-24(33)26(3,4)5)23(32)19-15-20(27)17-22(16-19)36-14-13-31(25(34)35)21-7-10-28-11-8-21/h7-8,10-11,15-18H,6,9,12-14H2,1-5H3,(H,29,33)(H,34,35)