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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-3-25-19(23)7-6-15-11-16(8-9-21)13-18(12-15)20(2,24)17-5-4-10-22-14-17/h4-5,10-14,24H,3,6-9,21H2,1-2H3