3-[2-(2-naphthalen-2-ylethoxy)-4-[(pyridin-2-ylamino)methyl]phenyl]propanoic acid

Systemtic Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-[(pyridin-2-ylamino)methyl]phenyl]propanoic acid Openeye Name: 3-[2-[2-(2-naphthyl)ethoxy]-4-[(2-pyridylamino)methyl]phenyl]propanoic acid CAS Name: 3-[2-[2-(2-naphthalenyl)ethoxy]-4-[(2-pyridinylamino)methyl]phenyl]propanoic acid IUPAC Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-[(pyridin-2-ylamino)methyl]phenyl]propanoic acid Traditional Name: 3-[2-[2-(2-naphthyl)ethoxy]-4-[(2-pyridylamino)methyl]phenyl]propionic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CNC4=CC=CC=N4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CNC4=CC=CC=N4)CCC(=O)O

InChI

InChI=1S/C27H26N2O3/c30-27(31)13-12-23-11-9-21(19-29-26-7-3-4-15-28-26)18-25(23)32-16-14-20-8-10-22-5-1-2-6-24(22)17-20/h1-11,15,17-18H,12-14,16,19H2,(H,28,29)(H,30,31)