(3S)-3-[4-[[3-(4-chloranyl-2-methyl-phenyl)phenyl]methoxy]phenyl]-3-(1-methylimidazol-2-yl)propanoic acid

Systemtic Name: (3S)-3-[4-[[3-(4-chloranyl-2-methyl-phenyl)phenyl]methoxy]phenyl]-3-(1-methylimidazol-2-yl)propanoic acid Openeye Name: (3S)-3-[4-[[3-(4-chloro-2-methyl-phenyl)phenyl]methoxy]phenyl]-3-(1-methylimidazol-2-yl)propanoic acid CAS Name: (3S)-3-[4-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]phenyl]-3-(1-methyl-2-imidazolyl)propanoic acid IUPAC Name: (3S)-3-[4-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]phenyl]-3-(1-methylimidazol-2-yl)propanoic acid Traditional Name: (3S)-3-[4-[3-(4-chloro-2-methyl-phenyl)benzyl]oxyphenyl]-3-(1-methylimidazol-2-yl)propionic acid Formula: C27H25ClN2O3 MolecularWeight: 460.952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C2=CC(=CC=C2)COC3=CC=C(C=C3)C(CC(=O)O)C4=NC=CN4C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C2=CC(=CC=C2)COC3=CC=C(C=C3)[C@H](CC(=O)O)C4=NC=CN4C

InChI

InChI=1S/C27H25ClN2O3/c1-18-14-22(28)8-11-24(18)21-5-3-4-19(15-21)17-33-23-9-6-20(7-10-23)25(16-26(31)32)27-29-12-13-30(27)2/h3-15,25H,16-17H2,1-2H3,(H,31,32)/t25-/m0/s1