2-azanyl-3-[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-2-cyclopentyl-3-oxidanylidene-propanoic acid

Systemtic Name: 2-azanyl-3-[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-2-cyclopentyl-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-3-[3-chloro-5-[2-(4-pyridylamino)ethoxy]phenyl]-2-cyclopentyl-3-oxo-propanoic acid CAS Name: 2-amino-3-[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-2-cyclopentyl-3-oxopropanoic acid IUPAC Name: 2-amino-3-[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-2-cyclopentyl-3-oxopropanoic acid Traditional Name: 2-amino-3-[3-chloro-5-[2-(4-pyridylamino)ethoxy]phenyl]-2-cyclopentyl-3-keto-propionic acid Formula: C21H24ClN3O4 MolecularWeight: 417.88596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C(=O)C2=CC(=CC(=C2)Cl)OCCNC3=CC=NC=C3)(C(=O)O)N

Isomeric SMILES

C1CCC(C1)C(C(=O)C2=CC(=CC(=C2)Cl)OCCNC3=CC=NC=C3)(C(=O)O)N

InChI

InChI=1S/C21H24ClN3O4/c22-16-11-14(19(26)21(23,20(27)28)15-3-1-2-4-15)12-18(13-16)29-10-9-25-17-5-7-24-8-6-17/h5-8,11-13,15H,1-4,9-10,23H2,(H,24,25)(H,27,28)