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

Systemtic Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[(4-naphthalen-2-yloxan-4-yl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[4-(2-naphthyl)tetrahydropyran-4-yl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[[4-(2-naphthalenyl)-4-oxanyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[(4-naphthalen-2-yloxan-4-yl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[4-(2-naphthyl)tetrahydropyran-4-yl]carbamoyl]phenyl]propionic acid Formula: C33H30N2O5 MolecularWeight: 534.6017

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C2=CC3=CC=CC=C3C=C2)NC(=O)C4=C(C=CC(=C4)COC5=CC=CC(=C5)C#N)CCC(=O)O

Isomeric SMILES

C1COCCC1(C2=CC3=CC=CC=C3C=C2)NC(=O)C4=C(C=CC(=C4)COC5=CC=CC(=C5)C#N)CCC(=O)O

InChI

InChI=1S/C33H30N2O5/c34-21-23-4-3-7-29(18-23)40-22-24-8-9-26(11-13-31(36)37)30(19-24)32(38)35-33(14-16-39-17-15-33)28-12-10-25-5-1-2-6-27(25)20-28/h1-10,12,18-20H,11,13-17,22H2,(H,35,38)(H,36,37)