(phenylmethyl) (2R,5S)-2-methyl-5-[(E)-3-oxidanylidene-11-phenylmethoxy-undec-1-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5S)-2-methyl-5-[(E)-3-oxidanylidene-11-phenylmethoxy-undec-1-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,5R)-2-[(E)-11-benzyloxy-3-oxo-undec-1-enyl]-5-methyl-pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2-methyl-5-[(E)-3-oxo-11-phenylmethoxyundec-1-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S)-2-methyl-5-[(E)-3-oxo-11-phenylmethoxyundec-1-enyl]pyrrolidine-1-carboxylate Traditional Name: (2S,5R)-2-[(E)-11-benzoxy-3-keto-undec-1-enyl]-5-methyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C31H41NO4 MolecularWeight: 491.66154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C(=O)OCC2=CC=CC=C2)C=CC(=O)CCCCCCCCOCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H](N1C(=O)OCC2=CC=CC=C2)/C=C/C(=O)CCCCCCCCOCC3=CC=CC=C3

InChI

InChI=1S/C31H41NO4/c1-26-19-20-29(32(26)31(34)36-25-28-16-10-7-11-17-28)21-22-30(33)18-12-4-2-3-5-13-23-35-24-27-14-8-6-9-15-27/h6-11,14-17,21-22,26,29H,2-5,12-13,18-20,23-25H2,1H3/b22-21+/t26-,29+/m1/s1