2-azanyl-5-(4-chlorophenyl)-2-methyl-5-[3-(1,3-thiazol-2-ylcarbonyl)phenoxy]pentanoic acid

Systemtic Name: 2-azanyl-5-(4-chlorophenyl)-2-methyl-5-[3-(1,3-thiazol-2-ylcarbonyl)phenoxy]pentanoic acid Openeye Name: 2-amino-5-(4-chlorophenyl)-2-methyl-5-[3-(thiazole-2-carbonyl)phenoxy]pentanoic acid CAS Name: 2-amino-5-(4-chlorophenyl)-2-methyl-5-[3-[oxo(2-thiazolyl)methyl]phenoxy]pentanoic acid IUPAC Name: 2-amino-5-(4-chlorophenyl)-2-methyl-5-[3-(1,3-thiazole-2-carbonyl)phenoxy]pentanoic acid Traditional Name: 2-amino-5-(4-chlorophenyl)-2-methyl-5-[3-(thiazole-2-carbonyl)phenoxy]valeric acid Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4S/c1-22(24,21(27)28)10-9-18(14-5-7-16(23)8-6-14)29-17-4-2-3-15(13-17)19(26)20-25-11-12-30-20/h2-8,11-13,18H,9-10,24H2,1H3,(H,27,28)