methyl (2S,4R,5S)-1-but-3-enoyl-4-(phenylmethyl)-5-prop-2-enyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R,5S)-1-but-3-enoyl-4-(phenylmethyl)-5-prop-2-enyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R,5S)-5-allyl-4-benzyl-1-but-3-enoyl-pyrrolidine-2-carboxylate CAS Name: (2S,4R,5S)-1-(1-oxobut-3-enyl)-4-(phenylmethyl)-5-prop-2-enyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R,5S)-4-benzyl-1-but-3-enoyl-5-prop-2-enylpyrrolidine-2-carboxylate Traditional Name: (2S,4R,5S)-5-allyl-4-benzyl-1-but-3-enoyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C(N1C(=O)CC=C)CC=C)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1C[C@H]([C@@H](N1C(=O)CC=C)CC=C)CC2=CC=CC=C2

InChI

InChI=1S/C20H25NO3/c1-4-9-17-16(13-15-11-7-6-8-12-15)14-18(20(23)24-3)21(17)19(22)10-5-2/h4-8,11-12,16-18H,1-2,9-10,13-14H2,3H3/t16-,17+,18+/m1/s1