ethyl 3-[4-cyano-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]propanoate

Systemtic Name: ethyl 3-[4-cyano-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]propanoate Openeye Name: ethyl 3-[4-cyano-2-[2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoate CAS Name: 3-[4-cyano-2-[2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate Traditional Name: 3-[4-cyano-2-[2-[[1-(4-pyridyl)isonipecotoyl]amino]ethoxy]phenyl]propionic acid ethyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=C(C=C1)C#N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CCC1=C(C=C(C=C1)C#N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C25H30N4O4/c1-2-32-24(30)6-5-20-4-3-19(18-26)17-23(20)33-16-13-28-25(31)21-9-14-29(15-10-21)22-7-11-27-12-8-22/h3-4,7-8,11-12,17,21H,2,5-6,9-10,13-16H2,1H3,(H,28,31)