3-[4-[(2-chloranyl-5-fluoranyl-phenoxy)methyl]-2-[[4-(3-methylphenyl)oxan-4-yl]carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-chloranyl-5-fluoranyl-phenoxy)methyl]-2-[[4-(3-methylphenyl)oxan-4-yl]carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-chloro-5-fluoro-phenoxy)methyl]-2-[[4-(m-tolyl)tetrahydropyran-4-yl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(2-chloro-5-fluorophenoxy)methyl]-2-[[[4-(3-methylphenyl)-4-oxanyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-chloro-5-fluorophenoxy)methyl]-2-[[4-(3-methylphenyl)oxan-4-yl]carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-chloro-5-fluoro-phenoxy)methyl]-2-[[4-(m-tolyl)tetrahydropyran-4-yl]carbamoyl]phenyl]propionic acid Formula: C29H29ClFNO5 MolecularWeight: 525.995663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CCOCC2)NC(=O)C3=C(C=CC(=C3)COC4=C(C=CC(=C4)F)Cl)CCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2(CCOCC2)NC(=O)C3=C(C=CC(=C3)COC4=C(C=CC(=C4)F)Cl)CCC(=O)O

InChI

InChI=1S/C29H29ClFNO5/c1-19-3-2-4-22(15-19)29(11-13-36-14-12-29)32-28(35)24-16-20(5-6-21(24)7-10-27(33)34)18-37-26-17-23(31)8-9-25(26)30/h2-6,8-9,15-17H,7,10-14,18H2,1H3,(H,32,35)(H,33,34)