1-[[ethoxy(4-phenylbutyl)phosphoryl]methyl-ethyl-carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[ethoxy(4-phenylbutyl)phosphoryl]methyl-ethyl-carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[ethoxy(4-phenylbutyl)phosphoryl]methyl-ethyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[[ethoxy(4-phenylbutyl)phosphoryl]methyl-ethylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[ethoxy(4-phenylbutyl)phosphoryl]methyl-ethylcarbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[ethoxy(4-phenylbutyl)phosphoryl]methyl-ethyl-carbamoyl]proline Formula: C21H33N2O5P MolecularWeight: 424.470881

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CP(=O)(CCCCC1=CC=CC=C1)OCC)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCN(CP(=O)(CCCCC1=CC=CC=C1)OCC)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C21H33N2O5P/c1-3-22(21(26)23-15-10-14-19(23)20(24)25)17-29(27,28-4-2)16-9-8-13-18-11-6-5-7-12-18/h5-7,11-12,19H,3-4,8-10,13-17H2,1-2H3,(H,24,25)