6-[[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-propan-2-yl-amino]hexanoic acid

Systemtic Name: 6-[[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-propan-2-yl-amino]hexanoic acid Openeye Name: 6-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-isopropyl-amino]hexanoic acid CAS Name: 6-[[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-oxomethyl]-propan-2-ylamino]hexanoic acid IUPAC Name: 6-[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-propan-2-ylamino]hexanoic acid Traditional Name: 6-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-isopropyl-amino]hexanoic acid Formula: C23H30ClN3O4 MolecularWeight: 447.955

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCCCC(=O)O)C(=O)C1=CC(=CC(=C1)Cl)OCCNC2=CC=NC=C2

Isomeric SMILES

CC(C)N(CCCCCC(=O)O)C(=O)C1=CC(=CC(=C1)Cl)OCCNC2=CC=NC=C2

InChI

InChI=1S/C23H30ClN3O4/c1-17(2)27(12-5-3-4-6-22(28)29)23(30)18-14-19(24)16-21(15-18)31-13-11-26-20-7-9-25-10-8-20/h7-10,14-17H,3-6,11-13H2,1-2H3,(H,25,26)(H,28,29)