methyl 1-(phenylmethyl)-4-[(E)-3-pyridin-4-ylprop-2-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-(phenylmethyl)-4-[(E)-3-pyridin-4-ylprop-2-enoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-benzyl-4-[(E)-3-(4-pyridyl)prop-2-enoyl]pyrrolidine-2-carboxylate CAS Name: 4-[(E)-1-oxo-3-pyridin-4-ylprop-2-enyl]-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-[(E)-3-pyridin-4-ylprop-2-enoyl]pyrrolidine-2-carboxylate Traditional Name: 1-benzyl-4-[(E)-3-(4-pyridyl)acryloyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1CC2=CC=CC=C2)C(=O)C=CC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1CC(CN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C21H22N2O3/c1-26-21(25)19-13-18(15-23(19)14-17-5-3-2-4-6-17)20(24)8-7-16-9-11-22-12-10-16/h2-12,18-19H,13-15H2,1H3/b8-7+