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

Systemtic Name: 3-[[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-propan-2-yl-amino]propanoic acid Openeye Name: 3-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-isopropyl-amino]propanoic acid CAS Name: 3-[[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-oxomethyl]-propan-2-ylamino]propanoic acid IUPAC Name: 3-[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-propan-2-ylamino]propanoic acid Traditional Name: 3-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-isopropyl-amino]propionic acid Formula: C20H24ClN3O4 MolecularWeight: 405.87526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O4/c1-14(2)24(9-5-19(25)26)20(27)15-11-16(21)13-18(12-15)28-10-8-23-17-3-6-22-7-4-17/h3-4,6-7,11-14H,5,8-10H2,1-2H3,(H,22,23)(H,25,26)