3-[4-[(3-cyanophenoxy)methyl]-2-[(4-phenethyloxan-4-yl)carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[(4-phenethyloxan-4-yl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[(4-phenethyltetrahydropyran-4-yl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[oxo-[(4-phenethyl-4-oxanyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[(4-phenethyloxan-4-yl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[(4-phenethyltetrahydropyran-4-yl)carbamoyl]phenyl]propionic acid Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32N2O5/c32-21-24-7-4-8-27(19-24)38-22-25-9-10-26(11-12-29(34)35)28(20-25)30(36)33-31(15-17-37-18-16-31)14-13-23-5-2-1-3-6-23/h1-10,19-20H,11-18,22H2,(H,33,36)(H,34,35)