(3S)-1-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-[(4-benzyloxy-3-ethoxy-phenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-benzoxy-3-ethoxy-benzyl)-5-keto-pyrrolidine-3-carboxylate Formula: C21H22NO5- MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC(CC2=O)C(=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2C[C@H](CC2=O)C(=O)[O-])OCC3=CC=CC=C3

InChI

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