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

Systemtic Name: ethyl 3-[4-cyano-2-[[1-(1-pyridin-4-ylpiperidin-4-yl)carbonylpyrrolidin-2-yl]methoxy]phenyl]propanoate Openeye Name: ethyl 3-[4-cyano-2-[[1-[1-(4-pyridyl)piperidine-4-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]propanoate CAS Name: 3-[4-cyano-2-[[1-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-2-pyrrolidinyl]methoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-2-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]propanoate Traditional Name: 3-[4-cyano-2-[[1-[1-(4-pyridyl)isonipecotoyl]pyrrolidin-2-yl]methoxy]phenyl]propionic acid ethyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=C(C=C1)C#N)OCC2CCCN2C(=O)C3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)CCC1=C(C=C(C=C1)C#N)OCC2CCCN2C(=O)C3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C28H34N4O4/c1-2-35-27(33)8-7-22-6-5-21(19-29)18-26(22)36-20-25-4-3-15-32(25)28(34)23-11-16-31(17-12-23)24-9-13-30-14-10-24/h5-6,9-10,13-14,18,23,25H,2-4,7-8,11-12,15-17,20H2,1H3