(E)-3-[4-cyano-2-[4-oxidanylidene-4-phenylmethoxy-2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butoxy]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-cyano-2-[4-oxidanylidene-4-phenylmethoxy-2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butoxy]phenyl]prop-2-enoate Openeye Name: (E)-3-[2-[4-benzyloxy-4-oxo-2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]butoxy]-4-cyano-phenyl]prop-2-enoate CAS Name: (E)-3-[4-cyano-2-[4-oxo-2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]-4-phenylmethoxybutoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-cyano-2-[4-oxo-4-phenylmethoxy-2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[2-[4-benzoxy-4-keto-2-[[1-(4-pyridyl)isonipecotoyl]amino]butoxy]-4-cyano-phenyl]acrylate Formula: C32H31N4O6- MolecularWeight: 567.61174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC(=O)OCC2=CC=CC=C2)COC3=C(C=CC(=C3)C#N)C=CC(=O)[O-])C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC(=O)OCC2=CC=CC=C2)COC3=C(C=CC(=C3)C#N)/C=C/C(=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C32H32N4O6/c33-20-24-6-7-25(8-9-30(37)38)29(18-24)41-22-27(19-31(39)42-21-23-4-2-1-3-5-23)35-32(40)26-12-16-36(17-13-26)28-10-14-34-15-11-28/h1-11,14-15,18,26-27H,12-13,16-17,19,21-22H2,(H,35,40)(H,37,38)/p-1/b9-8+