4-[[4-[5-chloranyl-2-[(4-propan-2-ylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-(2-cyclohexylethyl)amino]benzoic acid

Systemtic Name: 4-[[4-[5-chloranyl-2-[(4-propan-2-ylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-(2-cyclohexylethyl)amino]benzoic acid Openeye Name: 4-[[4-[5-chloro-2-[(4-isopropylphenyl)methoxy]phenyl]thiazol-2-yl]-(2-cyclohexylethyl)amino]benzoic acid CAS Name: 4-[[4-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-thiazolyl]-(2-cyclohexylethyl)amino]benzoic acid IUPAC Name: 4-[[4-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-(2-cyclohexylethyl)amino]benzoic acid Traditional Name: 4-[[4-[5-chloro-2-(4-isopropylbenzyl)oxy-phenyl]thiazol-2-yl]-(2-cyclohexylethyl)amino]benzoic acid Formula: C34H37ClN2O3S MolecularWeight: 589.18718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=CSC(=N3)N(CCC4CCCCC4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=CSC(=N3)N(CCC4CCCCC4)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C34H37ClN2O3S/c1-23(2)26-10-8-25(9-11-26)21-40-32-17-14-28(35)20-30(32)31-22-41-34(36-31)37(19-18-24-6-4-3-5-7-24)29-15-12-27(13-16-29)33(38)39/h8-17,20,22-24H,3-7,18-19,21H2,1-2H3,(H,38,39)