methyl (2S)-1-(3-methoxy-4-phenylmethoxy-phenyl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-(3-methoxy-4-phenylmethoxy-phenyl)carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(4-benzyloxy-3-methoxy-benzoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(3-methoxy-4-phenylmethoxybenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-benzoxy-3-methoxy-benzoyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCC2C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCC[C@H]2C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5/c1-25-19-13-16(20(23)22-12-6-9-17(22)21(24)26-2)10-11-18(19)27-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3/t17-/m0/s1