ethyl 3-[(E)-3-phenylprop-2-enyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(E)-3-phenylprop-2-enyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(E)-cinnamyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidine-3-carboxylate CAS Name: 3-[(E)-3-phenylprop-2-enyl]-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(E)-3-phenylprop-2-enyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidine-3-carboxylate Traditional Name: 3-[(E)-cinnamyl]-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]nipecotic acid ethyl ester Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=CN2C3=NC=CC=N3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CC=CN2C3=NC=CC=N3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2/c1-2-32-24(31)26(14-6-12-22-10-4-3-5-11-22)15-8-18-29(21-26)20-23-13-7-19-30(23)25-27-16-9-17-28-25/h3-7,9-13,16-17,19H,2,8,14-15,18,20-21H2,1H3/b12-6+