2-azanyl-6-(4-chlorophenyl)-6-[4-(1,3-thiazol-2-ylcarbonyl)phenoxy]hexanoic acid

Systemtic Name: 2-azanyl-6-(4-chlorophenyl)-6-[4-(1,3-thiazol-2-ylcarbonyl)phenoxy]hexanoic acid Openeye Name: 2-amino-6-(4-chlorophenyl)-6-[4-(thiazole-2-carbonyl)phenoxy]hexanoic acid CAS Name: 2-amino-6-(4-chlorophenyl)-6-[4-[oxo(2-thiazolyl)methyl]phenoxy]hexanoic acid IUPAC Name: 2-amino-6-(4-chlorophenyl)-6-[4-(1,3-thiazole-2-carbonyl)phenoxy]hexanoic acid Traditional Name: 2-amino-6-(4-chlorophenyl)-6-[4-(thiazole-2-carbonyl)phenoxy]hexanoic acid Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCCC(C(=O)O)N)OC2=CC=C(C=C2)C(=O)C3=NC=CS3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CCCC(C(=O)O)N)OC2=CC=C(C=C2)C(=O)C3=NC=CS3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c23-16-8-4-14(5-9-16)19(3-1-2-18(24)22(27)28)29-17-10-6-15(7-11-17)20(26)21-25-12-13-30-21/h4-13,18-19H,1-3,24H2,(H,27,28)