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

Systemtic Name: ethyl 3-[4-cyano-2-[2-oxidanylidene-2-(1-pyridin-4-ylpiperidin-4-yl)-1-pyrrolidin-2-yl-ethoxy]phenyl]propanoate Openeye Name: ethyl 3-[4-cyano-2-[2-oxo-2-[1-(4-pyridyl)-4-piperidyl]-1-pyrrolidin-2-yl-ethoxy]phenyl]propanoate CAS Name: 3-[4-cyano-2-[2-oxo-2-(1-pyridin-4-yl-4-piperidinyl)-1-(2-pyrrolidinyl)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-2-[2-oxo-2-(1-pyridin-4-ylpiperidin-4-yl)-1-pyrrolidin-2-ylethoxy]phenyl]propanoate Traditional Name: 3-[4-cyano-2-[2-keto-2-[1-(4-pyridyl)-4-piperidyl]-1-pyrrolidin-2-yl-ethoxy]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)OC(C2CCCN2)C(=O)C3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)CCC1=C(C=C(C=C1)C#N)OC(C2CCCN2)C(=O)C3CCN(CC3)C4=CC=NC=C4

InChI

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