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

Systemtic Name: methyl (2S,4R,5S)-1-but-3-enoyl-4-(3-phenylpropyl)-5-prop-2-enyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R,5S)-5-allyl-1-but-3-enoyl-4-(3-phenylpropyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R,5S)-1-(1-oxobut-3-enyl)-4-(3-phenylpropyl)-5-prop-2-enyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R,5S)-1-but-3-enoyl-4-(3-phenylpropyl)-5-prop-2-enylpyrrolidine-2-carboxylate Traditional Name: (2S,4R,5S)-5-allyl-1-but-3-enoyl-4-(3-phenylpropyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C(N1C(=O)CC=C)CC=C)CCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1C[C@H]([C@@H](N1C(=O)CC=C)CC=C)CCCC2=CC=CC=C2

InChI

InChI=1S/C22H29NO3/c1-4-10-19-18(15-9-14-17-12-7-6-8-13-17)16-20(22(25)26-3)23(19)21(24)11-5-2/h4-8,12-13,18-20H,1-2,9-11,14-16H2,3H3/t18-,19+,20+/m1/s1