(phenylmethyl) (2S)-1-buta-2,3-dienylpyrrolidine-2-carboxylate; (phenylmethyl) (2S)-1-but-3-ynylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-buta-2,3-dienylpyrrolidine-2-carboxylate; (phenylmethyl) (2S)-1-but-3-ynylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-buta-2,3-dienylpyrrolidine-2-carboxylate; benzyl (2S)-1-but-3-ynylpyrrolidine-2-carboxylate CAS Name: (2S)-1-buta-2,3-dienyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester; (2S)-1-but-3-ynyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-buta-2,3-dienylpyrrolidine-2-carboxylate; benzyl (2S)-1-but-3-ynylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-buta-2,3-dienylpyrrolidine-2-carboxylic acid benzyl ester; (2S)-1-but-3-ynylpyrrolidine-2-carboxylic acid benzyl ester Formula: C32H38N2O4 MolecularWeight: 514.65512

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Descriptors Computed from Structure

Canonical SMILES:

C=C=CCN1CCCC1C(=O)OCC2=CC=CC=C2.C#CCCN1CCCC1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C=C=CCN1CCC[C@H]1C(=O)OCC2=CC=CC=C2.C#CCCN1CCC[C@H]1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/2C16H19NO2/c2*1-2-3-11-17-12-7-10-15(17)16(18)19-13-14-8-5-4-6-9-14/h3-6,8-9,15H,1,7,10-13H2;1,4-6,8-9,15H,3,7,10-13H2/t2*15-/m00/s1