(phenylmethyl) 4-[1-(5-cyano-2-prop-2-enoyloxy-phenoxy)propan-2-ylcarbamoyl]-1-pyridin-4-yl-piperidine-3-carboxylate

Systemtic Name: (phenylmethyl) 4-[1-(5-cyano-2-prop-2-enoyloxy-phenoxy)propan-2-ylcarbamoyl]-1-pyridin-4-yl-piperidine-3-carboxylate Openeye Name: benzyl 4-[[2-(5-cyano-2-prop-2-enoyloxy-phenoxy)-1-methyl-ethyl]carbamoyl]-1-(4-pyridyl)piperidine-3-carboxylate CAS Name: 4-[[1-[5-cyano-2-(1-oxoprop-2-enoxy)phenoxy]propan-2-ylamino]-oxomethyl]-1-pyridin-4-yl-3-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-(5-cyano-2-prop-2-enoyloxyphenoxy)propan-2-ylcarbamoyl]-1-pyridin-4-ylpiperidine-3-carboxylate Traditional Name: 4-[[2-(2-acryloyloxy-5-cyano-phenoxy)-1-methyl-ethyl]carbamoyl]-1-(4-pyridyl)nipecotic acid benzyl ester Formula: C32H32N4O6 MolecularWeight: 568.61968

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=CC(=C1)C#N)OC(=O)C=C)NC(=O)C2CCN(CC2C(=O)OCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC(COC1=C(C=CC(=C1)C#N)OC(=O)C=C)NC(=O)C2CCN(CC2C(=O)OCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C32H32N4O6/c1-3-30(37)42-28-10-9-24(18-33)17-29(28)40-20-22(2)35-31(38)26-13-16-36(25-11-14-34-15-12-25)19-27(26)32(39)41-21-23-7-5-4-6-8-23/h3-12,14-15,17,22,26-27H,1,13,16,19-21H2,2H3,(H,35,38)