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

Systemtic Name: 4-[[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-cyclopentyl-amino]butanoic acid Openeye Name: 4-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-cyclopentyl-amino]butanoic acid CAS Name: 4-[[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-oxomethyl]-cyclopentylamino]butanoic acid IUPAC Name: 4-[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-cyclopentylamino]butanoic acid Traditional Name: 4-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-cyclopentyl-amino]butyric acid Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4/c24-18-14-17(15-21(16-18)31-13-11-26-19-7-9-25-10-8-19)23(30)27(12-3-6-22(28)29)20-4-1-2-5-20/h7-10,14-16,20H,1-6,11-13H2,(H,25,26)(H,28,29)