ethyl 3-[3-(2-azanylethyl)-5-(2-oxidanyl-1-pyridin-3-yl-ethyl)phenyl]propanoate

Systemtic Name: ethyl 3-[3-(2-azanylethyl)-5-(2-oxidanyl-1-pyridin-3-yl-ethyl)phenyl]propanoate Openeye Name: ethyl 3-[3-(2-aminoethyl)-5-[2-hydroxy-1-(3-pyridyl)ethyl]phenyl]propanoate CAS Name: 3-[3-(2-aminoethyl)-5-[2-hydroxy-1-(3-pyridinyl)ethyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-aminoethyl)-5-(2-hydroxy-1-pyridin-3-ylethyl)phenyl]propanoate Traditional Name: 3-[3-(2-aminoethyl)-5-[2-hydroxy-1-(3-pyridyl)ethyl]phenyl]propionic acid ethyl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)C(CO)C2=CN=CC=C2)CCN

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)C(CO)C2=CN=CC=C2)CCN

InChI

InChI=1S/C20H26N2O3/c1-2-25-20(24)6-5-15-10-16(7-8-21)12-18(11-15)19(14-23)17-4-3-9-22-13-17/h3-4,9-13,19,23H,2,5-8,14,21H2,1H3