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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C(=O)N(CCCC(=O)O)C2CCCC2)NC3=CC=NC=C3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1C(=O)N(CCCC(=O)O)C2CCCC2)NC3=CC=NC=C3)Cl

InChI

InChI=1S/C23H28ClN3O4/c1-2-31-22-19(14-17(15-20(22)24)26-16-9-11-25-12-10-16)23(30)27(13-5-8-21(28)29)18-6-3-4-7-18/h9-12,14-15,18H,2-8,13H2,1H3,(H,25,26)(H,28,29)