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

Systemtic Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-[(pyridin-3-ylamino)methyl]phenyl]propanoic acid Openeye Name: 3-[2-[2-(2-naphthyl)ethoxy]-4-[(3-pyridylamino)methyl]phenyl]propanoic acid CAS Name: 3-[2-[2-(2-naphthalenyl)ethoxy]-4-[(3-pyridinylamino)methyl]phenyl]propanoic acid IUPAC Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-[(pyridin-3-ylamino)methyl]phenyl]propanoic acid Traditional Name: 3-[2-[2-(2-naphthyl)ethoxy]-4-[(3-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=CN=CC=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CNC4=CN=CC=C4)CCC(=O)O

InChI

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