4-(2-ethoxy-2-oxidanylidene-ethoxy)-1-[2-[oxidanyl(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(2-ethoxy-2-oxidanylidene-ethoxy)-1-[2-[oxidanyl(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-(2-ethoxy-2-oxo-ethoxy)-1-[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 4-(2-ethoxy-2-oxoethoxy)-1-[2-[hydroxy(4-phenylbutyl)phosphoryl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(2-ethoxy-2-oxoethoxy)-1-[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-(2-ethoxy-2-keto-ethoxy)-1-[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]proline Formula: C21H30NO8P MolecularWeight: 455.438561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1CC(N(C1)C(=O)CP(=O)(CCCCC2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

CCOC(=O)COC1CC(N(C1)C(=O)CP(=O)(CCCCC2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C21H30NO8P/c1-2-29-20(24)14-30-17-12-18(21(25)26)22(13-17)19(23)15-31(27,28)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H,25,26)(H,27,28)