4-[[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-cyclobutyl-amino]butanoic acid

Systemtic Name: 4-[[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-cyclobutyl-amino]butanoic acid Openeye Name: 4-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-cyclobutyl-amino]butanoic acid CAS Name: 4-[[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-oxomethyl]-cyclobutylamino]butanoic acid IUPAC Name: 4-[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-cyclobutylamino]butanoic acid Traditional Name: 4-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-cyclobutyl-amino]butyric acid Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N(CCCC(=O)O)C(=O)C2=CC(=CC(=C2)Cl)OCCNC3=CC=NC=C3

Isomeric SMILES

C1CC(C1)N(CCCC(=O)O)C(=O)C2=CC(=CC(=C2)Cl)OCCNC3=CC=NC=C3

InChI

InChI=1S/C22H26ClN3O4/c23-17-13-16(22(29)26(19-3-1-4-19)11-2-5-21(27)28)14-20(15-17)30-12-10-25-18-6-8-24-9-7-18/h6-9,13-15,19H,1-5,10-12H2,(H,24,25)(H,27,28)