(phenylmethyl) (2S)-2-[(Z)-3-(oxan-2-yloxymethyl)-4-phenyl-but-1-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(Z)-3-(oxan-2-yloxymethyl)-4-phenyl-but-1-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(Z)-3-benzyl-4-tetrahydropyran-2-yloxy-but-1-enyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(Z)-3-(2-oxanyloxymethyl)-4-phenylbut-1-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(Z)-3-benzyl-4-(oxan-2-yloxy)but-1-enyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(Z)-3-benzyl-4-tetrahydropyran-2-yloxy-but-1-enyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC(CC2=CC=CC=C2)C=CC3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)OCC(CC2=CC=CC=C2)/C=C\[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H35NO4/c30-28(33-21-24-12-5-2-6-13-24)29-18-9-14-26(29)17-16-25(20-23-10-3-1-4-11-23)22-32-27-15-7-8-19-31-27/h1-6,10-13,16-17,25-27H,7-9,14-15,18-22H2/b17-16-/t25?,26-,27?/m0/s1