2-[3-[[3-(tert-butylamino)-3-oxidanylidene-propyl]-cyclobutyl-carbamoyl]-5-chloranyl-phenoxy]ethyl-pyridin-4-yl-carbamic acid

Systemtic Name: 2-[3-[[3-(tert-butylamino)-3-oxidanylidene-propyl]-cyclobutyl-carbamoyl]-5-chloranyl-phenoxy]ethyl-pyridin-4-yl-carbamic acid Openeye Name: 2-[3-[[3-(tert-butylamino)-3-oxo-propyl]-cyclobutyl-carbamoyl]-5-chloro-phenoxy]ethyl-(4-pyridyl)carbamic acid CAS Name: 2-[3-[[[3-(tert-butylamino)-3-oxopropyl]-cyclobutylamino]-oxomethyl]-5-chlorophenoxy]ethyl-pyridin-4-ylcarbamic acid IUPAC Name: 2-[3-[[3-(tert-butylamino)-3-oxopropyl]-cyclobutylcarbamoyl]-5-chlorophenoxy]ethyl-pyridin-4-ylcarbamic acid Traditional Name: 2-[3-[[3-(tert-butylamino)-3-keto-propyl]-cyclobutyl-carbamoyl]-5-chloro-phenoxy]ethyl-(4-pyridyl)carbamic acid Formula: C26H33ClN4O5 MolecularWeight: 517.01702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCN(C1CCC1)C(=O)C2=CC(=CC(=C2)Cl)OCCN(C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)CCN(C1CCC1)C(=O)C2=CC(=CC(=C2)Cl)OCCN(C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C26H33ClN4O5/c1-26(2,3)29-23(32)9-12-30(20-5-4-6-20)24(33)18-15-19(27)17-22(16-18)36-14-13-31(25(34)35)21-7-10-28-11-8-21/h7-8,10-11,15-17,20H,4-6,9,12-14H2,1-3H3,(H,29,32)(H,34,35)