7-[[4-(1,3-thiazol-2-yl)phenyl]methylamino]heptanoic acid

Systemtic Name: 7-[[4-(1,3-thiazol-2-yl)phenyl]methylamino]heptanoic acid Openeye Name: 7-[(4-thiazol-2-ylphenyl)methylamino]heptanoic acid CAS Name: 7-[[4-(2-thiazolyl)phenyl]methylamino]heptanoic acid IUPAC Name: 7-[[4-(1,3-thiazol-2-yl)phenyl]methylamino]heptanoic acid Traditional Name: 7-[(4-thiazol-2-ylbenzyl)amino]enanthic acid Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCCCCCC(=O)O)C2=NC=CS2

Isomeric SMILES

C1=CC(=CC=C1CNCCCCCCC(=O)O)C2=NC=CS2

InChI

InChI=1S/C17H22N2O2S/c20-16(21)5-3-1-2-4-10-18-13-14-6-8-15(9-7-14)17-19-11-12-22-17/h6-9,11-12,18H,1-5,10,13H2,(H,20,21)