methyl (2S,5R)-1-(3-phenyl-2-phenylmethoxy-pent-4-enoyl)-5-prop-2-enyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,5R)-1-(3-phenyl-2-phenylmethoxy-pent-4-enoyl)-5-prop-2-enyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,5R)-5-allyl-1-(2-benzyloxy-3-phenyl-pent-4-enoyl)pyrrolidine-2-carboxylate CAS Name: (2S,5R)-1-(1-oxo-3-phenyl-2-phenylmethoxypent-4-enyl)-5-prop-2-enyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,5R)-1-(3-phenyl-2-phenylmethoxypent-4-enoyl)-5-prop-2-enylpyrrolidine-2-carboxylate Traditional Name: (2S,5R)-5-allyl-1-(2-benzoxy-3-phenyl-pent-4-enoyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(N1C(=O)C(C(C=C)C2=CC=CC=C2)OCC3=CC=CC=C3)CC=C

Isomeric SMILES

COC(=O)[C@@H]1CC[C@@H](N1C(=O)C(C(C=C)C2=CC=CC=C2)OCC3=CC=CC=C3)CC=C

InChI

InChI=1S/C27H31NO4/c1-4-12-22-17-18-24(27(30)31-3)28(22)26(29)25(32-19-20-13-8-6-9-14-20)23(5-2)21-15-10-7-11-16-21/h4-11,13-16,22-25H,1-2,12,17-19H2,3H3/t22-,23?,24-,25?/m0/s1