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

Systemtic Name: ethyl (E)-3-[4-cyano-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-cyano-2-[2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[4-cyano-2-[2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]ethoxy]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-cyano-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-cyano-2-[2-[[1-(4-pyridyl)isonipecotoyl]amino]ethoxy]phenyl]acrylic acid ethyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C=C(C=C1)C#N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4/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/h3-8,11-12,17,21H,2,9-10,13-16H2,1H3,(H,28,31)/b6-5+