3-[4-[(3-cyanophenoxy)methyl]-2-[[4-[2-(3-fluorophenyl)ethyl]oxan-4-yl]carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[4-[2-(3-fluorophenyl)ethyl]oxan-4-yl]carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[4-[2-(3-fluorophenyl)ethyl]tetrahydropyran-4-yl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[[4-[2-(3-fluorophenyl)ethyl]-4-oxanyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[4-[2-(3-fluorophenyl)ethyl]oxan-4-yl]carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[4-[2-(3-fluorophenyl)ethyl]tetrahydropyran-4-yl]carbamoyl]phenyl]propionic acid Formula: C31H31FN2O5 MolecularWeight: 530.586643

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CCC2=CC(=CC=C2)F)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC(=C4)C#N)CCC(=O)O

Isomeric SMILES

C1COCCC1(CCC2=CC(=CC=C2)F)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC(=C4)C#N)CCC(=O)O

InChI

InChI=1S/C31H31FN2O5/c32-26-5-1-3-22(17-26)11-12-31(13-15-38-16-14-31)34-30(37)28-19-24(7-8-25(28)9-10-29(35)36)21-39-27-6-2-4-23(18-27)20-33/h1-8,17-19H,9-16,21H2,(H,34,37)(H,35,36)